5-methoxy-4-[(3S)-3-propan-2-ylpiperazin-1-yl]pyrido[3,4-d]pyrimidine

C15H21N5O — CID 141413073

IUPAC5-methoxy-4-[(3S)-3-propan-2-ylpiperazin-1-yl]pyrido[3,4-d]pyrimidine
SMILESCOc1cncc2ncnc(N3CCN[C@@H](C(C)C)C3)c12
InChIInChI=1S/C15H21N5O/c1-10(2)12-8-20(5-4-17-12)15-14-11(18-9-19-15)6-16-7-13(14)21-3/h6-7,9-10,12,17H,4-5,8H2,1-3H3/t12-/m1/s1
InChIKeyCTAUPQXPZGNUIM-GFCCVEGCSA-N
MW287.37 g/mol
LogP1.47
Rot. Bonds3

About 5-methoxy-4-[(3S)-3-propan-2-ylpiperazin-1-yl]pyrido[3,4-d]pyrimidine

5-methoxy-4-[(3S)-3-propan-2-ylpiperazin-1-yl]pyrido[3,4-d]pyrimidine (PubChem CID 141413073) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 5-methoxy-4-[(3S)-3-propan-2-ylpiperazin-1-yl]pyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name5-methoxy-4-[(3S)-3-propan-2-ylpiperazin-1-yl]pyrido[3,4-d]pyrimidine
PubChem CID141413073
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name5-methoxy-4-[(3S)-3-propan-2-ylpiperazin-1-yl]pyrido[3,4-d]pyrimidine
SMILESCOc1cncc2ncnc(N3CCN[C@@H](C(C)C)C3)c12
InChIInChI=1S/C15H21N5O/c1-10(2)12-8-20(5-4-17-12)15-14-11(18-9-19-15)6-16-7-13(14)21-3/h6-7,9-10,12,17H,4-5,8H2,1-3H3/t12-/m1/s1
InChIKeyCTAUPQXPZGNUIM-GFCCVEGCSA-N
XLogP1.47
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-fluoro-2-methoxyphenyl)-3-propan-2-ylpiperazine
CID 64951915
6,7-dimethyl-2-[(3R)-3-propan-2-ylpiperazin-1-yl]quinoxaline
CID 129409860
4-[5-methoxy-4-[(3R)-3-(phenoxymethyl)piperazin-1-yl]pyrido[3,4-d]pyrimidin-2-yl]morpholine
CID 90098761
2-chloro-4-[(3R)-3-[(4-fluorophenoxy)methyl]piperazin-1-yl]-5-methoxypyrido[3,4-d]pyrimidine
CID 90100358
5-cyclopropyl-4-piperazin-1-ylpyrido[3,4-d]pyrimidine
CID 140639083
6,7-dichloro-2-[(3R)-3-propan-2-ylpiperazin-1-yl]quinoxaline
CID 129409920
4-(4-bromopiperidin-1-yl)-5-methoxypyrimidine
CID 130543437
3-propan-2-yl-1-[6-(trifluoromethyl)-3-pyridinyl]piperazine
CID 80505348
1-(3-bromo-5-methoxyphenyl)-3-propan-2-ylpiperazine
CID 82858776
1-(3,4-diethoxyphenyl)-3-propan-2-ylpiperazine
CID 64920411
2-[(3R)-3-propan-2-ylpiperazin-1-yl]-8-(trifluoromethyl)quinoxaline
CID 129409832
(1S)-1-[(5R)-1-(6-amino-4-methoxy-3-pyridinyl)-1,4-diazepan-5-yl]ethanol
CID 170272183

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-[(3S)-3-propan-2-ylpiperazin-1-yl]pyrido[3,4-d]pyrimidine?
The IUPAC name of 5-methoxy-4-[(3S)-3-propan-2-ylpiperazin-1-yl]pyrido[3,4-d]pyrimidine (CID 141413073) is 5-methoxy-4-[(3S)-3-propan-2-ylpiperazin-1-yl]pyrido[3,4-d]pyrimidine.
What is the SMILES notation for 5-methoxy-4-[(3S)-3-propan-2-ylpiperazin-1-yl]pyrido[3,4-d]pyrimidine?
The canonical SMILES for 5-methoxy-4-[(3S)-3-propan-2-ylpiperazin-1-yl]pyrido[3,4-d]pyrimidine is COc1cncc2ncnc(N3CCN[C@@H](C(C)C)C3)c12.
What is the InChIKey of 5-methoxy-4-[(3S)-3-propan-2-ylpiperazin-1-yl]pyrido[3,4-d]pyrimidine?
The InChIKey is CTAUPQXPZGNUIM-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H21N5O/c1-10(2)12-8-20(5-4-17-12)15-14-11(18-9-19-15)6-16-7-13(14)21-3/h6-7,9-10,12,17H,4-5,8H2,1-3H3/t12-/m1/s1.
What are the key properties of 5-methoxy-4-[(3S)-3-propan-2-ylpiperazin-1-yl]pyrido[3,4-d]pyrimidine?
5-methoxy-4-[(3S)-3-propan-2-ylpiperazin-1-yl]pyrido[3,4-d]pyrimidine has a molecular weight of 287.37 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-[(3S)-3-propan-2-ylpiperazin-1-yl]pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 141413073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).