5-[[(2S)-2-aminopropyl]amino]-7-(3,4-dimethoxyphenyl)-3-methylpyrido[4,3-d]pyrimidin-4-one

C19H23N5O3 — CID 58092930

IUPAC5-[[(2S)-2-aminopropyl]amino]-7-(3,4-dimethoxyphenyl)-3-methylpyrido[4,3-d]pyrimidin-4-one
SMILESCOc1ccc(-c2cc3ncn(C)c(=O)c3c(NC[C@H](C)N)n2)cc1OC
InChIInChI=1S/C19H23N5O3/c1-11(20)9-21-18-17-14(22-10-24(2)19(17)25)8-13(23-18)12-5-6-15(26-3)16(7-12)27-4/h5-8,10-11H,9,20H2,1-4H3,(H,21,23)/t11-/m0/s1
InChIKeyLXOZRBCZMMGVFG-NSHDSACASA-N
MW369.43 g/mol
LogP1.77
Rot. Bonds6

About 5-[[(2S)-2-aminopropyl]amino]-7-(3,4-dimethoxyphenyl)-3-methylpyrido[4,3-d]pyrimidin-4-one

5-[[(2S)-2-aminopropyl]amino]-7-(3,4-dimethoxyphenyl)-3-methylpyrido[4,3-d]pyrimidin-4-one (PubChem CID 58092930) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is 5-[[(2S)-2-aminopropyl]amino]-7-(3,4-dimethoxyphenyl)-3-methylpyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-[[(2S)-2-aminopropyl]amino]-7-(3,4-dimethoxyphenyl)-3-methylpyrido[4,3-d]pyrimidin-4-one
PubChem CID58092930
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Name5-[[(2S)-2-aminopropyl]amino]-7-(3,4-dimethoxyphenyl)-3-methylpyrido[4,3-d]pyrimidin-4-one
SMILESCOc1ccc(-c2cc3ncn(C)c(=O)c3c(NC[C@H](C)N)n2)cc1OC
InChIInChI=1S/C19H23N5O3/c1-11(20)9-21-18-17-14(22-10-24(2)19(17)25)8-13(23-18)12-5-6-15(26-3)16(7-12)27-4/h5-8,10-11H,9,20H2,1-4H3,(H,21,23)/t11-/m0/s1
InChIKeyLXOZRBCZMMGVFG-NSHDSACASA-N
XLogP1.77
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[[(2S)-2-aminopropyl]amino]-7-(3,4-dimethoxyphenyl)-3-methylpyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 5-[[(2S)-2-aminopropyl]amino]-7-(3,4-dimethoxyphenyl)-3-methylpyrido[4,3-d]pyrimidin-4-one (CID 58092930) is 5-[[(2S)-2-aminopropyl]amino]-7-(3,4-dimethoxyphenyl)-3-methylpyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-[[(2S)-2-aminopropyl]amino]-7-(3,4-dimethoxyphenyl)-3-methylpyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 5-[[(2S)-2-aminopropyl]amino]-7-(3,4-dimethoxyphenyl)-3-methylpyrido[4,3-d]pyrimidin-4-one is COc1ccc(-c2cc3ncn(C)c(=O)c3c(NC[C@H](C)N)n2)cc1OC.
What is the InChIKey of 5-[[(2S)-2-aminopropyl]amino]-7-(3,4-dimethoxyphenyl)-3-methylpyrido[4,3-d]pyrimidin-4-one?
The InChIKey is LXOZRBCZMMGVFG-NSHDSACASA-N. The full InChI is InChI=1S/C19H23N5O3/c1-11(20)9-21-18-17-14(22-10-24(2)19(17)25)8-13(23-18)12-5-6-15(26-3)16(7-12)27-4/h5-8,10-11H,9,20H2,1-4H3,(H,21,23)/t11-/m0/s1.
What are the key properties of 5-[[(2S)-2-aminopropyl]amino]-7-(3,4-dimethoxyphenyl)-3-methylpyrido[4,3-d]pyrimidin-4-one?
5-[[(2S)-2-aminopropyl]amino]-7-(3,4-dimethoxyphenyl)-3-methylpyrido[4,3-d]pyrimidin-4-one has a molecular weight of 369.43 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2S)-2-aminopropyl]amino]-7-(3,4-dimethoxyphenyl)-3-methylpyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 58092930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).