6-(5-methyl-2-pyridinyl)-N-[(1R)-1-phenylethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine

C21H23N5 — CID 25033087

IUPAC6-(5-methyl-2-pyridinyl)-N-[(1R)-1-phenylethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
SMILESCc1ccc(N2CCc3ncnc(N[C@H](C)c4ccccc4)c3C2)nc1
InChIInChI=1S/C21H23N5/c1-15-8-9-20(22-12-15)26-11-10-19-18(13-26)21(24-14-23-19)25-16(2)17-6-4-3-5-7-17/h3-9,12,14,16H,10-11,13H2,1-2H3,(H,23,24,25)/t16-/m1/s1
InChIKeyPODLAPNQWXJKQM-MRXNPFEDSA-N
MW345.45 g/mol
LogP3.92
Rot. Bonds4

About 6-(5-methyl-2-pyridinyl)-N-[(1R)-1-phenylethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine

6-(5-methyl-2-pyridinyl)-N-[(1R)-1-phenylethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine (PubChem CID 25033087) has the molecular formula C21H23N5 and a molecular weight of 345.45 g/mol. Its IUPAC name is 6-(5-methyl-2-pyridinyl)-N-[(1R)-1-phenylethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(5-methyl-2-pyridinyl)-N-[(1R)-1-phenylethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
PubChem CID25033087
Molecular FormulaC21H23N5
Molecular Weight345.45 g/mol
Exact Mass345.20
IUPAC Name6-(5-methyl-2-pyridinyl)-N-[(1R)-1-phenylethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
SMILESCc1ccc(N2CCc3ncnc(N[C@H](C)c4ccccc4)c3C2)nc1
InChIInChI=1S/C21H23N5/c1-15-8-9-20(22-12-15)26-11-10-19-18(13-26)21(24-14-23-19)25-16(2)17-6-4-3-5-7-17/h3-9,12,14,16H,10-11,13H2,1-2H3,(H,23,24,25)/t16-/m1/s1
InChIKeyPODLAPNQWXJKQM-MRXNPFEDSA-N
XLogP3.92
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(5-methyl-2-pyridinyl)-N-[(1R)-1-phenylethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The IUPAC name of 6-(5-methyl-2-pyridinyl)-N-[(1R)-1-phenylethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine (CID 25033087) is 6-(5-methyl-2-pyridinyl)-N-[(1R)-1-phenylethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-(5-methyl-2-pyridinyl)-N-[(1R)-1-phenylethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-(5-methyl-2-pyridinyl)-N-[(1R)-1-phenylethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine is Cc1ccc(N2CCc3ncnc(N[C@H](C)c4ccccc4)c3C2)nc1.
What is the InChIKey of 6-(5-methyl-2-pyridinyl)-N-[(1R)-1-phenylethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
The InChIKey is PODLAPNQWXJKQM-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H23N5/c1-15-8-9-20(22-12-15)26-11-10-19-18(13-26)21(24-14-23-19)25-16(2)17-6-4-3-5-7-17/h3-9,12,14,16H,10-11,13H2,1-2H3,(H,23,24,25)/t16-/m1/s1.
What are the key properties of 6-(5-methyl-2-pyridinyl)-N-[(1R)-1-phenylethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine?
6-(5-methyl-2-pyridinyl)-N-[(1R)-1-phenylethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 345.45 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methyl-2-pyridinyl)-N-[(1R)-1-phenylethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 25033087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).