4-N-(2-amino-3-phenylpropyl)-8-N-phenyl-2-pyridin-4-ylpyrido[3,4-d]pyrimidine-4,8-diamine

C27H25N7 — CID 123494987

IUPAC4-N-(2-amino-3-phenylpropyl)-8-N-phenyl-2-pyridin-4-ylpyrido[3,4-d]pyrimidine-4,8-diamine
SMILESNC(CNc1nc(-c2ccncc2)nc2c(Nc3ccccc3)nccc12)Cc1ccccc1
InChIInChI=1S/C27H25N7/c28-21(17-19-7-3-1-4-8-19)18-31-26-23-13-16-30-27(32-22-9-5-2-6-10-22)24(23)33-25(34-26)20-11-14-29-15-12-20/h1-16,21H,17-18,28H2,(H,30,32)(H,31,33,34)
InChIKeyJPQBJPYWTCJGKJ-UHFFFAOYSA-N
MW447.55 g/mol
LogP4.81
Rot. Bonds8

About 4-N-(2-amino-3-phenylpropyl)-8-N-phenyl-2-pyridin-4-ylpyrido[3,4-d]pyrimidine-4,8-diamine

4-N-(2-amino-3-phenylpropyl)-8-N-phenyl-2-pyridin-4-ylpyrido[3,4-d]pyrimidine-4,8-diamine (PubChem CID 123494987) has the molecular formula C27H25N7 and a molecular weight of 447.55 g/mol. Its IUPAC name is 4-N-(2-amino-3-phenylpropyl)-8-N-phenyl-2-pyridin-4-ylpyrido[3,4-d]pyrimidine-4,8-diamine.

Molecular Properties

Compound Name4-N-(2-amino-3-phenylpropyl)-8-N-phenyl-2-pyridin-4-ylpyrido[3,4-d]pyrimidine-4,8-diamine
PubChem CID123494987
Molecular FormulaC27H25N7
Molecular Weight447.55 g/mol
Exact Mass447.22
IUPAC Name4-N-(2-amino-3-phenylpropyl)-8-N-phenyl-2-pyridin-4-ylpyrido[3,4-d]pyrimidine-4,8-diamine
SMILESNC(CNc1nc(-c2ccncc2)nc2c(Nc3ccccc3)nccc12)Cc1ccccc1
InChIInChI=1S/C27H25N7/c28-21(17-19-7-3-1-4-8-19)18-31-26-23-13-16-30-27(32-22-9-5-2-6-10-22)24(23)33-25(34-26)20-11-14-29-15-12-20/h1-16,21H,17-18,28H2,(H,30,32)(H,31,33,34)
InChIKeyJPQBJPYWTCJGKJ-UHFFFAOYSA-N
XLogP4.81
TPSA101.64 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.55
LogP ≤ 54.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-N-(2-amino-3-phenylpropyl)-8-N-phenyl-2-pyridin-4-ylpyrido[3,4-d]pyrimidine-4,8-diamine with MolForge

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Related Compounds

4-[4-[[(2R)-2-amino-3-phenylpropyl]amino]-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-8-yl]phenol
CID 136623621
1-N-[8-(4-methylpiperazin-1-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine
CID 90100432
1-N-[8-(3-methylphenyl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine
CID 134312493
1-N-[8-(3-ethoxyphenyl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine
CID 134312468
1-N-(7-chloro-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)-3-phenylpropane-1,2-diamine
CID 123274491
1-N-[7-(4-fluorobut-1-ynyl)-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine
CID 123343623
1-N-[7-(3,3-dimethylbut-1-ynyl)-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine
CID 123805448
1-N-[7-(3-methoxy-4-pyridinyl)-6-methyl-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine
CID 123835237
(2R)-3-phenyl-1-N-(4-pyridin-4-yl-2-pyridinyl)propane-1,2-diamine
CID 69138686
1-N-[7-(2-methylpyrazol-3-yl)-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine
CID 123944345
1-[4-[[(2S)-2-amino-3-phenylpropyl]amino]-2-pyridin-4-ylthieno[3,2-d]pyrimidin-7-yl]-3-methylpent-1-yn-3-ol
CID 137426052
1-N-[7-(3-iminopropanimidoyl)-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine
CID 123938766

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-amino-3-phenylpropyl)-8-N-phenyl-2-pyridin-4-ylpyrido[3,4-d]pyrimidine-4,8-diamine?
The IUPAC name of 4-N-(2-amino-3-phenylpropyl)-8-N-phenyl-2-pyridin-4-ylpyrido[3,4-d]pyrimidine-4,8-diamine (CID 123494987) is 4-N-(2-amino-3-phenylpropyl)-8-N-phenyl-2-pyridin-4-ylpyrido[3,4-d]pyrimidine-4,8-diamine.
What is the SMILES notation for 4-N-(2-amino-3-phenylpropyl)-8-N-phenyl-2-pyridin-4-ylpyrido[3,4-d]pyrimidine-4,8-diamine?
The canonical SMILES for 4-N-(2-amino-3-phenylpropyl)-8-N-phenyl-2-pyridin-4-ylpyrido[3,4-d]pyrimidine-4,8-diamine is NC(CNc1nc(-c2ccncc2)nc2c(Nc3ccccc3)nccc12)Cc1ccccc1.
What is the InChIKey of 4-N-(2-amino-3-phenylpropyl)-8-N-phenyl-2-pyridin-4-ylpyrido[3,4-d]pyrimidine-4,8-diamine?
The InChIKey is JPQBJPYWTCJGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N7/c28-21(17-19-7-3-1-4-8-19)18-31-26-23-13-16-30-27(32-22-9-5-2-6-10-22)24(23)33-25(34-26)20-11-14-29-15-12-20/h1-16,21H,17-18,28H2,(H,30,32)(H,31,33,34).
What are the key properties of 4-N-(2-amino-3-phenylpropyl)-8-N-phenyl-2-pyridin-4-ylpyrido[3,4-d]pyrimidine-4,8-diamine?
4-N-(2-amino-3-phenylpropyl)-8-N-phenyl-2-pyridin-4-ylpyrido[3,4-d]pyrimidine-4,8-diamine has a molecular weight of 447.55 g/mol, XLogP of 4.81, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-amino-3-phenylpropyl)-8-N-phenyl-2-pyridin-4-ylpyrido[3,4-d]pyrimidine-4,8-diamine is sourced from PubChem (CID 123494987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).