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

C21H29N5 — CID 110262146

IUPACN-methyl-2-[1-(2-phenylethyl)piperidin-3-yl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
SMILESCNc1nc(C2CCCN(CCc3ccccc3)C2)nc2c1CNCC2
InChIInChI=1S/C21H29N5/c1-22-21-18-14-23-11-9-19(18)24-20(25-21)17-8-5-12-26(15-17)13-10-16-6-3-2-4-7-16/h2-4,6-7,17,23H,5,8-15H2,1H3,(H,22,24,25)
InChIKeyFLNAXOAEVTYZSZ-UHFFFAOYSA-N
MW351.50 g/mol
LogP2.59
Rot. Bonds5

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

N-methyl-2-[1-(2-phenylethyl)piperidin-3-yl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine (PubChem CID 110262146) has the molecular formula C21H29N5 and a molecular weight of 351.50 g/mol. Its IUPAC name is N-methyl-2-[1-(2-phenylethyl)piperidin-3-yl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-2-[1-(2-phenylethyl)piperidin-3-yl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
PubChem CID110262146
Molecular FormulaC21H29N5
Molecular Weight351.50 g/mol
Exact Mass351.24
IUPAC NameN-methyl-2-[1-(2-phenylethyl)piperidin-3-yl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
SMILESCNc1nc(C2CCCN(CCc3ccccc3)C2)nc2c1CNCC2
InChIInChI=1S/C21H29N5/c1-22-21-18-14-23-11-9-19(18)24-20(25-21)17-8-5-12-26(15-17)13-10-16-6-3-2-4-7-16/h2-4,6-7,17,23H,5,8-15H2,1H3,(H,22,24,25)
InChIKeyFLNAXOAEVTYZSZ-UHFFFAOYSA-N
XLogP2.59
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.50
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[1-(2-phenylethyl)piperidin-3-yl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
The IUPAC name of N-methyl-2-[1-(2-phenylethyl)piperidin-3-yl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine (CID 110262146) is N-methyl-2-[1-(2-phenylethyl)piperidin-3-yl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-2-[1-(2-phenylethyl)piperidin-3-yl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
The canonical SMILES for N-methyl-2-[1-(2-phenylethyl)piperidin-3-yl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine is CNc1nc(C2CCCN(CCc3ccccc3)C2)nc2c1CNCC2.
What is the InChIKey of N-methyl-2-[1-(2-phenylethyl)piperidin-3-yl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
The InChIKey is FLNAXOAEVTYZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5/c1-22-21-18-14-23-11-9-19(18)24-20(25-21)17-8-5-12-26(15-17)13-10-16-6-3-2-4-7-16/h2-4,6-7,17,23H,5,8-15H2,1H3,(H,22,24,25).
What are the key properties of N-methyl-2-[1-(2-phenylethyl)piperidin-3-yl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
N-methyl-2-[1-(2-phenylethyl)piperidin-3-yl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 351.50 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[1-(2-phenylethyl)piperidin-3-yl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 110262146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).