N-[1-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)piperidin-4-yl]pyrimidin-2-amine

C16H21N7 — CID 56740831

IUPACN-[1-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)piperidin-4-yl]pyrimidin-2-amine
SMILESc1cnc(NC2CCN(c3ncnc4c3CCNC4)CC2)nc1
InChIInChI=1S/C16H21N7/c1-5-18-16(19-6-1)22-12-3-8-23(9-4-12)15-13-2-7-17-10-14(13)20-11-21-15/h1,5-6,11-12,17H,2-4,7-10H2,(H,18,19,22)
InChIKeyFZKIHHYBRJZZRV-UHFFFAOYSA-N
MW311.39 g/mol
LogP0.99
Rot. Bonds3

About N-[1-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)piperidin-4-yl]pyrimidin-2-amine

N-[1-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)piperidin-4-yl]pyrimidin-2-amine (PubChem CID 56740831) has the molecular formula C16H21N7 and a molecular weight of 311.39 g/mol. Its IUPAC name is N-[1-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)piperidin-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)piperidin-4-yl]pyrimidin-2-amine
PubChem CID56740831
Molecular FormulaC16H21N7
Molecular Weight311.39 g/mol
Exact Mass311.19
IUPAC NameN-[1-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)piperidin-4-yl]pyrimidin-2-amine
SMILESc1cnc(NC2CCN(c3ncnc4c3CCNC4)CC2)nc1
InChIInChI=1S/C16H21N7/c1-5-18-16(19-6-1)22-12-3-8-23(9-4-12)15-13-2-7-17-10-14(13)20-11-21-15/h1,5-6,11-12,17H,2-4,7-10H2,(H,18,19,22)
InChIKeyFZKIHHYBRJZZRV-UHFFFAOYSA-N
XLogP0.99
TPSA78.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)piperidin-4-yl]pyrimidin-2-amine?
The IUPAC name of N-[1-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)piperidin-4-yl]pyrimidin-2-amine (CID 56740831) is N-[1-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)piperidin-4-yl]pyrimidin-2-amine.
What is the SMILES notation for N-[1-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)piperidin-4-yl]pyrimidin-2-amine?
The canonical SMILES for N-[1-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)piperidin-4-yl]pyrimidin-2-amine is c1cnc(NC2CCN(c3ncnc4c3CCNC4)CC2)nc1.
What is the InChIKey of N-[1-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)piperidin-4-yl]pyrimidin-2-amine?
The InChIKey is FZKIHHYBRJZZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7/c1-5-18-16(19-6-1)22-12-3-8-23(9-4-12)15-13-2-7-17-10-14(13)20-11-21-15/h1,5-6,11-12,17H,2-4,7-10H2,(H,18,19,22).
What are the key properties of N-[1-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)piperidin-4-yl]pyrimidin-2-amine?
N-[1-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)piperidin-4-yl]pyrimidin-2-amine has a molecular weight of 311.39 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)piperidin-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 56740831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).