(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

CID 66575844
CID 66575844
CID 71237369
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CID 156612911
CID 156612911
CID 66575842
CID 66575842
CID 66575924
CID 66575924
CID 66575928
CID 66575928
CID 66576005
CID 66576005
CID 70982421
CID 70982421
CID 70982438
CID 70982438
CID 71237065
CID 71237065
CID 71237091
CID 71237091
CID 71237171
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).