7-amino-6-(aminomethyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione;(2-methylphenyl)methanamine

C18H24N6O2 — CID 143186326

IUPAC7-amino-6-(aminomethyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione;(2-methylphenyl)methanamine
SMILESCc1ccccc1CN.Cn1c(=O)c2cc(CN)c(N)nc2n(C)c1=O
InChIInChI=1S/C10H13N5O2.C8H11N/c1-14-8-6(9(16)15(2)10(14)17)3-5(4-11)7(12)13-8;1-7-4-2-3-5-8(7)6-9/h3H,4,11H2,1-2H3,(H2,12,13);2-5H,6,9H2,1H3
InChIKeyCHWZHHDIZTWKRS-UHFFFAOYSA-N
MW356.43 g/mol
LogP0.13
Rot. Bonds2

About 7-amino-6-(aminomethyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione;(2-methylphenyl)methanamine

7-amino-6-(aminomethyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione;(2-methylphenyl)methanamine (PubChem CID 143186326) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 7-amino-6-(aminomethyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione;(2-methylphenyl)methanamine.

Molecular Properties

Compound Name7-amino-6-(aminomethyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione;(2-methylphenyl)methanamine
PubChem CID143186326
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC Name7-amino-6-(aminomethyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione;(2-methylphenyl)methanamine
SMILESCc1ccccc1CN.Cn1c(=O)c2cc(CN)c(N)nc2n(C)c1=O
InChIInChI=1S/C10H13N5O2.C8H11N/c1-14-8-6(9(16)15(2)10(14)17)3-5(4-11)7(12)13-8;1-7-4-2-3-5-8(7)6-9/h3H,4,11H2,1-2H3,(H2,12,13);2-5H,6,9H2,1H3
InChIKeyCHWZHHDIZTWKRS-UHFFFAOYSA-N
XLogP0.13
TPSA134.95 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 7-amino-6-(aminomethyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione;(2-methylphenyl)methanamine with MolForge

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Related Compounds

7-amino-6-(aminomethyl)-1,3-dimethyl-5-(3-methyl-1-benzothiophen-2-yl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 11494666
1,3,8-trimethylpyrimido[4,5-b]quinoline-2,4-dione
CID 2785860
4,6-dimethyl-12,14-diphenyl-2,4,6,12,14-pentazatricyclo[8.4.0.03,8]tetradeca-1(10),2,8-triene-5,7,11,13-tetrone
CID 14042826
7-ethyl-1,3-dimethyl-5-[(2-methylphenyl)methylsulfanyl]pyrimido[4,5-d]pyrimidine-2,4-dione
CID 7110308
1,3-dimethyl-8-(3-methylphenoxy)-7-[(2-methylphenyl)methyl]purine-2,6-dione
CID 5177216
8-(3-aminopiperidin-1-yl)-1,3-dimethyl-7-[(2-methylphenyl)methyl]purine-2,6-dione
CID 22508582
5-amino-2,4,7,9-tetramethylpyrimido[4,5-h][1,6]naphthyridine-8,10-dione
CID 46872676
6-(benzylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 154751912
7-amino-N-benzyl-1,3,5-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 23476483
8-amino-1,7-dibenzyl-3-methylpurine-2,6-dione
CID 1097773
ethanethial;(2-methylphenyl)methanamine
CID 143288844
5-(aminomethyl)-1,3,6-trimethylbenzimidazol-2-one
CID 177145852

Frequently Asked Questions

What is the IUPAC name of 7-amino-6-(aminomethyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione;(2-methylphenyl)methanamine?
The IUPAC name of 7-amino-6-(aminomethyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione;(2-methylphenyl)methanamine (CID 143186326) is 7-amino-6-(aminomethyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione;(2-methylphenyl)methanamine.
What is the SMILES notation for 7-amino-6-(aminomethyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione;(2-methylphenyl)methanamine?
The canonical SMILES for 7-amino-6-(aminomethyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione;(2-methylphenyl)methanamine is Cc1ccccc1CN.Cn1c(=O)c2cc(CN)c(N)nc2n(C)c1=O.
What is the InChIKey of 7-amino-6-(aminomethyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione;(2-methylphenyl)methanamine?
The InChIKey is CHWZHHDIZTWKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2.C8H11N/c1-14-8-6(9(16)15(2)10(14)17)3-5(4-11)7(12)13-8;1-7-4-2-3-5-8(7)6-9/h3H,4,11H2,1-2H3,(H2,12,13);2-5H,6,9H2,1H3.
What are the key properties of 7-amino-6-(aminomethyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione;(2-methylphenyl)methanamine?
7-amino-6-(aminomethyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione;(2-methylphenyl)methanamine has a molecular weight of 356.43 g/mol, XLogP of 0.13, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-6-(aminomethyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione;(2-methylphenyl)methanamine is sourced from PubChem (CID 143186326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).