4-N-[[4-(phenylmethoxymethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine

C22H21N5O — CID 133409461

IUPAC4-N-[[4-(phenylmethoxymethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine
SMILESNc1ccc2c(NCc3ccc(COCc4ccccc4)cc3)ncnc2n1
InChIInChI=1S/C22H21N5O/c23-20-11-10-19-21(25-15-26-22(19)27-20)24-12-16-6-8-18(9-7-16)14-28-13-17-4-2-1-3-5-17/h1-11,15H,12-14H2,(H3,23,24,25,26,27)
InChIKeyUHVHPQVJRABDJP-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.94
Rot. Bonds7

About 4-N-[[4-(phenylmethoxymethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine

4-N-[[4-(phenylmethoxymethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine (PubChem CID 133409461) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is 4-N-[[4-(phenylmethoxymethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine.

Molecular Properties

Compound Name4-N-[[4-(phenylmethoxymethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine
PubChem CID133409461
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC Name4-N-[[4-(phenylmethoxymethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine
SMILESNc1ccc2c(NCc3ccc(COCc4ccccc4)cc3)ncnc2n1
InChIInChI=1S/C22H21N5O/c23-20-11-10-19-21(25-15-26-22(19)27-20)24-12-16-6-8-18(9-7-16)14-28-13-17-4-2-1-3-5-17/h1-11,15H,12-14H2,(H3,23,24,25,26,27)
InChIKeyUHVHPQVJRABDJP-UHFFFAOYSA-N
XLogP3.94
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-[[4-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133408154
4-N-[[2-(ethoxymethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133396106
N-[4-[[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]furan-2-carboxamide
CID 133408616
1-[4-[[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]-3-propan-2-ylurea
CID 133409466
4-N-(2-phenylsulfanylethyl)pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133407916
3-[[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]-N-ethylbenzamide
CID 133409598
4-N-(cyclopropylmethyl)pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133408710
4-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133409050
4-N-benzylpyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328077
4-N-[2-(naphthalen-1-ylamino)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133407838
3-[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]-N-benzyl-N-methylpropanamide
CID 75434699
4-N-[(2-piperidin-1-ylphenyl)methyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133439662

Frequently Asked Questions

What is the IUPAC name of 4-N-[[4-(phenylmethoxymethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine?
The IUPAC name of 4-N-[[4-(phenylmethoxymethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine (CID 133409461) is 4-N-[[4-(phenylmethoxymethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine.
What is the SMILES notation for 4-N-[[4-(phenylmethoxymethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine?
The canonical SMILES for 4-N-[[4-(phenylmethoxymethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine is Nc1ccc2c(NCc3ccc(COCc4ccccc4)cc3)ncnc2n1.
What is the InChIKey of 4-N-[[4-(phenylmethoxymethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine?
The InChIKey is UHVHPQVJRABDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c23-20-11-10-19-21(25-15-26-22(19)27-20)24-12-16-6-8-18(9-7-16)14-28-13-17-4-2-1-3-5-17/h1-11,15H,12-14H2,(H3,23,24,25,26,27).
What are the key properties of 4-N-[[4-(phenylmethoxymethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine?
4-N-[[4-(phenylmethoxymethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine has a molecular weight of 371.44 g/mol, XLogP of 3.94, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[[4-(phenylmethoxymethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine is sourced from PubChem (CID 133409461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).