(2,6-dimethyl-4-pyridinyl)-[4-[2-(4-fluoroanilino)-4-[(4-hydroxycyclohexyl)amino]pyrimidin-5-yl]piperidin-1-yl]methanone

C29H35FN6O2 — CID 150136725

IUPAC(2,6-dimethyl-4-pyridinyl)-[4-[2-(4-fluoroanilino)-4-[(4-hydroxycyclohexyl)amino]pyrimidin-5-yl]piperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCC(c3cnc(Nc4ccc(F)cc4)nc3NC3CCC(O)CC3)CC2)cc(C)n1
InChIInChI=1S/C29H35FN6O2/c1-18-15-21(16-19(2)32-18)28(38)36-13-11-20(12-14-36)26-17-31-29(34-24-5-3-22(30)4-6-24)35-27(26)33-23-7-9-25(37)10-8-23/h3-6,15-17,20,23,25,37H,7-14H2,1-2H3,(H2,31,33,34,35)
InChIKeyFCKBFTZIFPOTFD-UHFFFAOYSA-N
MW518.64 g/mol
LogP5.11
Rot. Bonds6

About (2,6-dimethyl-4-pyridinyl)-[4-[2-(4-fluoroanilino)-4-[(4-hydroxycyclohexyl)amino]pyrimidin-5-yl]piperidin-1-yl]methanone

(2,6-dimethyl-4-pyridinyl)-[4-[2-(4-fluoroanilino)-4-[(4-hydroxycyclohexyl)amino]pyrimidin-5-yl]piperidin-1-yl]methanone (PubChem CID 150136725) has the molecular formula C29H35FN6O2 and a molecular weight of 518.64 g/mol. Its IUPAC name is (2,6-dimethyl-4-pyridinyl)-[4-[2-(4-fluoroanilino)-4-[(4-hydroxycyclohexyl)amino]pyrimidin-5-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,6-dimethyl-4-pyridinyl)-[4-[2-(4-fluoroanilino)-4-[(4-hydroxycyclohexyl)amino]pyrimidin-5-yl]piperidin-1-yl]methanone
PubChem CID150136725
Molecular FormulaC29H35FN6O2
Molecular Weight518.64 g/mol
Exact Mass518.28
IUPAC Name(2,6-dimethyl-4-pyridinyl)-[4-[2-(4-fluoroanilino)-4-[(4-hydroxycyclohexyl)amino]pyrimidin-5-yl]piperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCC(c3cnc(Nc4ccc(F)cc4)nc3NC3CCC(O)CC3)CC2)cc(C)n1
InChIInChI=1S/C29H35FN6O2/c1-18-15-21(16-19(2)32-18)28(38)36-13-11-20(12-14-36)26-17-31-29(34-24-5-3-22(30)4-6-24)35-27(26)33-23-7-9-25(37)10-8-23/h3-6,15-17,20,23,25,37H,7-14H2,1-2H3,(H2,31,33,34,35)
InChIKeyFCKBFTZIFPOTFD-UHFFFAOYSA-N
XLogP5.11
TPSA103.27 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.64
LogP ≤ 55.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (2,6-dimethyl-4-pyridinyl)-[4-[2-(4-fluoroanilino)-4-[(4-hydroxycyclohexyl)amino]pyrimidin-5-yl]piperidin-1-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

6-[2-(butylamino)-4-[(4-hydroxycyclohexyl)amino]pyrimidin-5-yl]-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide
CID 72792627
US11001586, Example 55
CID 146402892
(2,6-dimethyl-4-pyridinyl)-[4-[7-(4-hydroxycyclohexyl)-2-[[(2S)-pentan-2-yl]amino]pyrrolo[2,3-d]pyrimidin-5-yl]piperidin-1-yl]methanone
CID 146403042
trans-2-amino-8-(4-hydroxycyclohexyl)-4-methyl-6-(6-methylpyridin-3-yl)pteridin-7(8H)-one
CID 49800133
4-[[2-(Butylamino)-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]pyridin-2-yl]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 72792562
N-[6-[2-(butylamino)-4-[(4-hydroxycyclohexyl)amino]pyrimidin-5-yl]-3-pyridinyl]-1-methylpiperidine-4-carboxamide
CID 72792906
[3-[2-Methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
CID 86341973
[3-[2-Methyl-6-[[5-(trifluoromethyl)pyridin-2-yl]amino]pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
CID 86342000
[3-[2-Methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
CID 86342001
[3-[2-Methyl-6-[(5-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
CID 86342002
[3-[2-Methyl-6-[[4-(trifluoromethyl)pyridin-2-yl]amino]pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
CID 117685339
[3-[6-[(4-Ethyl-2-pyridinyl)amino]-2-methylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
CID 117685471

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethyl-4-pyridinyl)-[4-[2-(4-fluoroanilino)-4-[(4-hydroxycyclohexyl)amino]pyrimidin-5-yl]piperidin-1-yl]methanone?
The IUPAC name of (2,6-dimethyl-4-pyridinyl)-[4-[2-(4-fluoroanilino)-4-[(4-hydroxycyclohexyl)amino]pyrimidin-5-yl]piperidin-1-yl]methanone (CID 150136725) is (2,6-dimethyl-4-pyridinyl)-[4-[2-(4-fluoroanilino)-4-[(4-hydroxycyclohexyl)amino]pyrimidin-5-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (2,6-dimethyl-4-pyridinyl)-[4-[2-(4-fluoroanilino)-4-[(4-hydroxycyclohexyl)amino]pyrimidin-5-yl]piperidin-1-yl]methanone?
The canonical SMILES for (2,6-dimethyl-4-pyridinyl)-[4-[2-(4-fluoroanilino)-4-[(4-hydroxycyclohexyl)amino]pyrimidin-5-yl]piperidin-1-yl]methanone is Cc1cc(C(=O)N2CCC(c3cnc(Nc4ccc(F)cc4)nc3NC3CCC(O)CC3)CC2)cc(C)n1.
What is the InChIKey of (2,6-dimethyl-4-pyridinyl)-[4-[2-(4-fluoroanilino)-4-[(4-hydroxycyclohexyl)amino]pyrimidin-5-yl]piperidin-1-yl]methanone?
The InChIKey is FCKBFTZIFPOTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35FN6O2/c1-18-15-21(16-19(2)32-18)28(38)36-13-11-20(12-14-36)26-17-31-29(34-24-5-3-22(30)4-6-24)35-27(26)33-23-7-9-25(37)10-8-23/h3-6,15-17,20,23,25,37H,7-14H2,1-2H3,(H2,31,33,34,35).
What are the key properties of (2,6-dimethyl-4-pyridinyl)-[4-[2-(4-fluoroanilino)-4-[(4-hydroxycyclohexyl)amino]pyrimidin-5-yl]piperidin-1-yl]methanone?
(2,6-dimethyl-4-pyridinyl)-[4-[2-(4-fluoroanilino)-4-[(4-hydroxycyclohexyl)amino]pyrimidin-5-yl]piperidin-1-yl]methanone has a molecular weight of 518.64 g/mol, XLogP of 5.11, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethyl-4-pyridinyl)-[4-[2-(4-fluoroanilino)-4-[(4-hydroxycyclohexyl)amino]pyrimidin-5-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 150136725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).