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N-ethyl-4-[4-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-amine

C18H22N8 — CID 155976450

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-ethyl-4-[4-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-amine
SMILESCCNc1nccc(N2CCN(c3nc(C)nc4cnccc34)CC2)n1
InChIInChI=1S/C18H22N8/c1-3-20-18-21-7-5-16(24-18)25-8-10-26(11-9-25)17-14-4-6-19-12-15(14)22-13(2)23-17/h4-7,12H,3,8-11H2,1-2H3,(H,20,21,24)
InChIKeyCARPHGBQIXVMJK-UHFFFAOYSA-N
MW350.43 g/mol
LogP1.88
Rot. Bonds4

About N-ethyl-4-[4-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-amine

N-ethyl-4-[4-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-amine (PubChem CID 155976450) has the molecular formula C18H22N8 and a molecular weight of 350.43 g/mol. Its IUPAC name is N-ethyl-4-[4-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-[4-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-amine
PubChem CID155976450
Molecular FormulaC18H22N8
Molecular Weight350.43 g/mol
Exact Mass350.20
IUPAC NameN-ethyl-4-[4-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-amine
SMILESCCNc1nccc(N2CCN(c3nc(C)nc4cnccc34)CC2)n1
InChIInChI=1S/C18H22N8/c1-3-20-18-21-7-5-16(24-18)25-8-10-26(11-9-25)17-14-4-6-19-12-15(14)22-13(2)23-17/h4-7,12H,3,8-11H2,1-2H3,(H,20,21,24)
InChIKeyCARPHGBQIXVMJK-UHFFFAOYSA-N
XLogP1.88
TPSA82.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[4-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-amine?
The IUPAC name of N-ethyl-4-[4-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-amine (CID 155976450) is N-ethyl-4-[4-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-4-[4-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-amine?
The canonical SMILES for N-ethyl-4-[4-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-amine is CCNc1nccc(N2CCN(c3nc(C)nc4cnccc34)CC2)n1.
What is the InChIKey of N-ethyl-4-[4-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-amine?
The InChIKey is CARPHGBQIXVMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N8/c1-3-20-18-21-7-5-16(24-18)25-8-10-26(11-9-25)17-14-4-6-19-12-15(14)22-13(2)23-17/h4-7,12H,3,8-11H2,1-2H3,(H,20,21,24).
What are the key properties of N-ethyl-4-[4-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-amine?
N-ethyl-4-[4-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-amine has a molecular weight of 350.43 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[4-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 155976450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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