(4-aminopiperidin-1-yl)-[2-(butylamino)-4-[(4-hydroxycyclohexyl)amino]pyrimidin-5-yl]methanone

C20H34N6O2 — CID 72793254

IUPAC(4-aminopiperidin-1-yl)-[2-(butylamino)-4-[(4-hydroxycyclohexyl)amino]pyrimidin-5-yl]methanone
SMILESCCCCNc1ncc(C(=O)N2CCC(N)CC2)c(NC2CCC(O)CC2)n1
InChIInChI=1S/C20H34N6O2/c1-2-3-10-22-20-23-13-17(19(28)26-11-8-14(21)9-12-26)18(25-20)24-15-4-6-16(27)7-5-15/h13-16,27H,2-12,21H2,1H3,(H2,22,23,24,25)
InChIKeySOXQFVHZJHSFSW-UHFFFAOYSA-N
MW390.53 g/mol
LogP1.97
Rot. Bonds7

About (4-aminopiperidin-1-yl)-[2-(butylamino)-4-[(4-hydroxycyclohexyl)amino]pyrimidin-5-yl]methanone

(4-aminopiperidin-1-yl)-[2-(butylamino)-4-[(4-hydroxycyclohexyl)amino]pyrimidin-5-yl]methanone (PubChem CID 72793254) has the molecular formula C20H34N6O2 and a molecular weight of 390.53 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-[2-(butylamino)-4-[(4-hydroxycyclohexyl)amino]pyrimidin-5-yl]methanone.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-[2-(butylamino)-4-[(4-hydroxycyclohexyl)amino]pyrimidin-5-yl]methanone
PubChem CID72793254
Molecular FormulaC20H34N6O2
Molecular Weight390.53 g/mol
Exact Mass390.27
IUPAC Name(4-aminopiperidin-1-yl)-[2-(butylamino)-4-[(4-hydroxycyclohexyl)amino]pyrimidin-5-yl]methanone
SMILESCCCCNc1ncc(C(=O)N2CCC(N)CC2)c(NC2CCC(O)CC2)n1
InChIInChI=1S/C20H34N6O2/c1-2-3-10-22-20-23-13-17(19(28)26-11-8-14(21)9-12-26)18(25-20)24-15-4-6-16(27)7-5-15/h13-16,27H,2-12,21H2,1H3,(H2,22,23,24,25)
InChIKeySOXQFVHZJHSFSW-UHFFFAOYSA-N
XLogP1.97
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 51.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[(1R,3S)-3-hydroxy-3-methylcyclohexyl]amino]-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 66575844
4-[[(1R,3S)-3-hydroxycycloheptyl]amino]-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 71237369
2-(butylamino)-N-[1-(3-fluoropropyl)piperidin-4-yl]-4-{[(1r,4r)-4-hydroxycyclohexyl]amino}pyrimidine-5-carboxamide
CID 156612911
4-((1R,3S)-3-hydroxycyclohexylamino)-2-(4-(2,2,2-trifluoroethoxy)cyclohexyl-amino)pyrimidine-5-carboxamide
CID 66575842
4-[(3-Hydroxy-3-methylbutyl)amino]-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 66575924
2-(4,4-difluorocyclohexylamino)-4-((1R,3S)-3-hydroxycyclohexylamino)pyrimidine-5-carboxamide
CID 66575928
4-[[(1R,3S)-3-methoxycyclohexyl]amino]-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 66576005
4-(Tert-butylamino)-2-((trans-4-hydroxycyclohexyl)amino)pyrimidine-5-carboxamide
CID 70982421
4-(1-Bicyclo[1.1.1]pentanylamino)-2-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 70982438
4-[[(1R,3R)-3-hydroxycyclohexyl]amino]-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 71237065
4-[[(1R)-3,3-difluorocyclohexyl]amino]-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 71237091
4-[[(1R,3S)-3-hydroxycyclohexyl]amino]-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 71237171

Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-[2-(butylamino)-4-[(4-hydroxycyclohexyl)amino]pyrimidin-5-yl]methanone?
The IUPAC name of (4-aminopiperidin-1-yl)-[2-(butylamino)-4-[(4-hydroxycyclohexyl)amino]pyrimidin-5-yl]methanone (CID 72793254) is (4-aminopiperidin-1-yl)-[2-(butylamino)-4-[(4-hydroxycyclohexyl)amino]pyrimidin-5-yl]methanone.
What is the SMILES notation for (4-aminopiperidin-1-yl)-[2-(butylamino)-4-[(4-hydroxycyclohexyl)amino]pyrimidin-5-yl]methanone?
The canonical SMILES for (4-aminopiperidin-1-yl)-[2-(butylamino)-4-[(4-hydroxycyclohexyl)amino]pyrimidin-5-yl]methanone is CCCCNc1ncc(C(=O)N2CCC(N)CC2)c(NC2CCC(O)CC2)n1.
What is the InChIKey of (4-aminopiperidin-1-yl)-[2-(butylamino)-4-[(4-hydroxycyclohexyl)amino]pyrimidin-5-yl]methanone?
The InChIKey is SOXQFVHZJHSFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N6O2/c1-2-3-10-22-20-23-13-17(19(28)26-11-8-14(21)9-12-26)18(25-20)24-15-4-6-16(27)7-5-15/h13-16,27H,2-12,21H2,1H3,(H2,22,23,24,25).
What are the key properties of (4-aminopiperidin-1-yl)-[2-(butylamino)-4-[(4-hydroxycyclohexyl)amino]pyrimidin-5-yl]methanone?
(4-aminopiperidin-1-yl)-[2-(butylamino)-4-[(4-hydroxycyclohexyl)amino]pyrimidin-5-yl]methanone has a molecular weight of 390.53 g/mol, XLogP of 1.97, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl)-[2-(butylamino)-4-[(4-hydroxycyclohexyl)amino]pyrimidin-5-yl]methanone is sourced from PubChem (CID 72793254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).