cyclohexanol;2-N-(4-fluorophenyl)-5-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyrimidine-2,4-diamine

C26H33FN6O — CID 145287637

IUPACcyclohexanol;2-N-(4-fluorophenyl)-5-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyrimidine-2,4-diamine
SMILESNc1nc(Nc2ccc(F)cc2)ncc1-c1ccc(CN2CCCC2)cn1.OC1CCCCC1
InChIInChI=1S/C20H21FN6.C6H12O/c21-15-4-6-16(7-5-15)25-20-24-12-17(19(22)26-20)18-8-3-14(11-23-18)13-27-9-1-2-10-27;7-6-4-2-1-3-5-6/h3-8,11-12H,1-2,9-10,13H2,(H3,22,24,25,26);6-7H,1-5H2
InChIKeyMXSVXMALHOXRPB-UHFFFAOYSA-N
MW464.59 g/mol
LogP4.91
Rot. Bonds5

About cyclohexanol;2-N-(4-fluorophenyl)-5-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyrimidine-2,4-diamine

cyclohexanol;2-N-(4-fluorophenyl)-5-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyrimidine-2,4-diamine (PubChem CID 145287637) has the molecular formula C26H33FN6O and a molecular weight of 464.59 g/mol. Its IUPAC name is cyclohexanol;2-N-(4-fluorophenyl)-5-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Namecyclohexanol;2-N-(4-fluorophenyl)-5-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyrimidine-2,4-diamine
PubChem CID145287637
Molecular FormulaC26H33FN6O
Molecular Weight464.59 g/mol
Exact Mass464.27
IUPAC Namecyclohexanol;2-N-(4-fluorophenyl)-5-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyrimidine-2,4-diamine
SMILESNc1nc(Nc2ccc(F)cc2)ncc1-c1ccc(CN2CCCC2)cn1.OC1CCCCC1
InChIInChI=1S/C20H21FN6.C6H12O/c21-15-4-6-16(7-5-15)25-20-24-12-17(19(22)26-20)18-8-3-14(11-23-18)13-27-9-1-2-10-27;7-6-4-2-1-3-5-6/h3-8,11-12H,1-2,9-10,13H2,(H3,22,24,25,26);6-7H,1-5H2
InChIKeyMXSVXMALHOXRPB-UHFFFAOYSA-N
XLogP4.91
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.59
LogP ≤ 54.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze cyclohexanol;2-N-(4-fluorophenyl)-5-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyrimidine-2,4-diamine with MolForge

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Related Compounds

2-N-(3-fluorophenyl)-5-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyrimidine-2,4-diamine
CID 145287660
4-[[2-(4-bromoanilino)-5-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 118439827
4-[[2-(4-iodoanilino)-5-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 144944286
4-N-cyclohexyl-2-N-(2-fluorophenyl)-5-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyrimidine-2,4-diamine
CID 144944175
6-(azepan-1-ylmethyl)-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine
CID 753517
1-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl]piperidin-4-ol
CID 110880190
[4-[4-amino-2-(4-fluoroanilino)pyrimidin-5-yl]piperidin-1-yl]-cyclopentylmethanone
CID 153365871
2-N-(2-chloro-4-pyridinyl)-5-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyrimidine-2,4-diamine
CID 167266686
4-N-cyclopentyl-2-N-[4-(morpholin-4-ylmethyl)phenyl]pyrimidine-2,4,5-triamine
CID 70647980
N-(4-hydroxycyclohexyl)-4-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]benzamide
CID 122558965
4-[[5-(1-cyclohexylpiperidin-4-yl)-2-(4-fluoroanilino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 153365816
4-N-cyclopentyl-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine-2,4,5-triamine
CID 70648003

Frequently Asked Questions

What is the IUPAC name of cyclohexanol;2-N-(4-fluorophenyl)-5-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyrimidine-2,4-diamine?
The IUPAC name of cyclohexanol;2-N-(4-fluorophenyl)-5-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyrimidine-2,4-diamine (CID 145287637) is cyclohexanol;2-N-(4-fluorophenyl)-5-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyrimidine-2,4-diamine.
What is the SMILES notation for cyclohexanol;2-N-(4-fluorophenyl)-5-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyrimidine-2,4-diamine?
The canonical SMILES for cyclohexanol;2-N-(4-fluorophenyl)-5-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyrimidine-2,4-diamine is Nc1nc(Nc2ccc(F)cc2)ncc1-c1ccc(CN2CCCC2)cn1.OC1CCCCC1.
What is the InChIKey of cyclohexanol;2-N-(4-fluorophenyl)-5-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyrimidine-2,4-diamine?
The InChIKey is MXSVXMALHOXRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN6.C6H12O/c21-15-4-6-16(7-5-15)25-20-24-12-17(19(22)26-20)18-8-3-14(11-23-18)13-27-9-1-2-10-27;7-6-4-2-1-3-5-6/h3-8,11-12H,1-2,9-10,13H2,(H3,22,24,25,26);6-7H,1-5H2.
What are the key properties of cyclohexanol;2-N-(4-fluorophenyl)-5-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyrimidine-2,4-diamine?
cyclohexanol;2-N-(4-fluorophenyl)-5-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyrimidine-2,4-diamine has a molecular weight of 464.59 g/mol, XLogP of 4.91, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanol;2-N-(4-fluorophenyl)-5-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 145287637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).