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

C18H21N5 — CID 133407492

IUPAC4-N-methyl-4-N-[(4-propan-2-ylphenyl)methyl]pyrido[2,3-d]pyrimidine-4,7-diamine
SMILESCC(C)c1ccc(CN(C)c2ncnc3nc(N)ccc23)cc1
InChIInChI=1S/C18H21N5/c1-12(2)14-6-4-13(5-7-14)10-23(3)18-15-8-9-16(19)22-17(15)20-11-21-18/h4-9,11-12H,10H2,1-3H3,(H2,19,20,21,22)
InChIKeyDMUDFAUTPIYJJK-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.37
Rot. Bonds4

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

4-N-methyl-4-N-[(4-propan-2-ylphenyl)methyl]pyrido[2,3-d]pyrimidine-4,7-diamine (PubChem CID 133407492) has the molecular formula C18H21N5 and a molecular weight of 307.40 g/mol. Its IUPAC name is 4-N-methyl-4-N-[(4-propan-2-ylphenyl)methyl]pyrido[2,3-d]pyrimidine-4,7-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-[(4-propan-2-ylphenyl)methyl]pyrido[2,3-d]pyrimidine-4,7-diamine
PubChem CID133407492
Molecular FormulaC18H21N5
Molecular Weight307.40 g/mol
Exact Mass307.18
IUPAC Name4-N-methyl-4-N-[(4-propan-2-ylphenyl)methyl]pyrido[2,3-d]pyrimidine-4,7-diamine
SMILESCC(C)c1ccc(CN(C)c2ncnc3nc(N)ccc23)cc1
InChIInChI=1S/C18H21N5/c1-12(2)14-6-4-13(5-7-14)10-23(3)18-15-8-9-16(19)22-17(15)20-11-21-18/h4-9,11-12H,10H2,1-3H3,(H2,19,20,21,22)
InChIKeyDMUDFAUTPIYJJK-UHFFFAOYSA-N
XLogP3.37
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-N-methyl-4-N-[(4-propan-2-ylphenyl)methyl]pyrido[2,3-d]pyrimidine-4,7-diamine with MolForge

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Related Compounds

4-N-[2-(4-propan-2-ylphenoxy)ethyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133409681
4-N-[(4-methoxyphenyl)methyl]-4-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80777408
4-N-butyl-4-N-ethylpyrido[2,3-d]pyrimidine-4,7-diamine
CID 133407373
6-chloro-N-[(4-methoxyphenyl)methyl]-N-methyl-5-propan-2-ylpyrimidin-4-amine
CID 63730306
4-N,5-dimethyl-4-N-[(4-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 80765009
4-N-(furan-3-ylmethyl)-4-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80796546
4-N-[(4-bromophenyl)methyl]-4-N-methylquinazoline-4,6-diamine
CID 64587901
4-N-[(4-methoxyphenyl)methyl]-4-N,5-dimethylpyrimidine-4,6-diamine
CID 80794758
N,2,4-trimethyl-N-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-5-amine
CID 121288943
N-[(4-aminophenyl)methyl]-5-bromo-N-methylpyrimidin-4-amine
CID 66319954
2-N-methyl-2-N-[(4-methylphenyl)methyl]pyrazine-2,5-diamine
CID 80652508
[4-[[methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]phenyl]methanamine
CID 60921319

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-[(4-propan-2-ylphenyl)methyl]pyrido[2,3-d]pyrimidine-4,7-diamine?
The IUPAC name of 4-N-methyl-4-N-[(4-propan-2-ylphenyl)methyl]pyrido[2,3-d]pyrimidine-4,7-diamine (CID 133407492) is 4-N-methyl-4-N-[(4-propan-2-ylphenyl)methyl]pyrido[2,3-d]pyrimidine-4,7-diamine.
What is the SMILES notation for 4-N-methyl-4-N-[(4-propan-2-ylphenyl)methyl]pyrido[2,3-d]pyrimidine-4,7-diamine?
The canonical SMILES for 4-N-methyl-4-N-[(4-propan-2-ylphenyl)methyl]pyrido[2,3-d]pyrimidine-4,7-diamine is CC(C)c1ccc(CN(C)c2ncnc3nc(N)ccc23)cc1.
What is the InChIKey of 4-N-methyl-4-N-[(4-propan-2-ylphenyl)methyl]pyrido[2,3-d]pyrimidine-4,7-diamine?
The InChIKey is DMUDFAUTPIYJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5/c1-12(2)14-6-4-13(5-7-14)10-23(3)18-15-8-9-16(19)22-17(15)20-11-21-18/h4-9,11-12H,10H2,1-3H3,(H2,19,20,21,22).
What are the key properties of 4-N-methyl-4-N-[(4-propan-2-ylphenyl)methyl]pyrido[2,3-d]pyrimidine-4,7-diamine?
4-N-methyl-4-N-[(4-propan-2-ylphenyl)methyl]pyrido[2,3-d]pyrimidine-4,7-diamine has a molecular weight of 307.40 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-[(4-propan-2-ylphenyl)methyl]pyrido[2,3-d]pyrimidine-4,7-diamine is sourced from PubChem (CID 133407492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).