3-(2-amino-1,3-thiazol-4-yl)-1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]propan-1-one

C17H25N7OS — CID 118783979

IUPAC3-(2-amino-1,3-thiazol-4-yl)-1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]propan-1-one
SMILESCN(C)c1nc2c(c(N(C)C)n1)CCN(C(=O)CCc1csc(N)n1)C2
InChIInChI=1S/C17H25N7OS/c1-22(2)15-12-7-8-24(9-13(12)20-17(21-15)23(3)4)14(25)6-5-11-10-26-16(18)19-11/h10H,5-9H2,1-4H3,(H2,18,19)
InChIKeyHOINHXXPBJWOJI-UHFFFAOYSA-N
MW375.50 g/mol
LogP1.16
Rot. Bonds5

About 3-(2-amino-1,3-thiazol-4-yl)-1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]propan-1-one

3-(2-amino-1,3-thiazol-4-yl)-1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]propan-1-one (PubChem CID 118783979) has the molecular formula C17H25N7OS and a molecular weight of 375.50 g/mol. Its IUPAC name is 3-(2-amino-1,3-thiazol-4-yl)-1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]propan-1-one.

Molecular Properties

Compound Name3-(2-amino-1,3-thiazol-4-yl)-1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]propan-1-one
PubChem CID118783979
Molecular FormulaC17H25N7OS
Molecular Weight375.50 g/mol
Exact Mass375.18
IUPAC Name3-(2-amino-1,3-thiazol-4-yl)-1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]propan-1-one
SMILESCN(C)c1nc2c(c(N(C)C)n1)CCN(C(=O)CCc1csc(N)n1)C2
InChIInChI=1S/C17H25N7OS/c1-22(2)15-12-7-8-24(9-13(12)20-17(21-15)23(3)4)14(25)6-5-11-10-26-16(18)19-11/h10H,5-9H2,1-4H3,(H2,18,19)
InChIKeyHOINHXXPBJWOJI-UHFFFAOYSA-N
XLogP1.16
TPSA91.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.50
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-(2-amino-1,3-thiazol-4-yl)-1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]propan-1-one with MolForge

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Related Compounds

[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(1,3-thiazol-4-yl)methanone
CID 145980044
[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 145990833
[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2-amino-1,3-thiazol-4-yl)methanone
CID 145989284
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-7-(cyclopropylcarbonyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 56865157
4-Methyl-6-{4-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]-1-piperazinyl}-2-pyrimidinamine
CID 70761738
4-methyl-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 97404530
6-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-propan-2-yl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 97515302
1-(6-cyclopropylpyrimidin-4-yl)-N-(4-methylthiazol-2-yl)piperidine-4-carboxamide
CID 76146825
2-Methyl-7-[(2-methyl-1,3-thiazol-4-yl)acetyl]-4-pyrrolidin-1-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 118773512
1-(2-((4,6-Dimethylpyrimidin-2-yl)amino)thiazole-4-carbonyl)piperidine-4-carboxamide
CID 52417278
2-(2-amino-4,6-dimethylpyrimidin-5-yl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]acetamide
CID 56867892
N,N,N',N'-tetramethyl-7-[(2-propyl-1,3-thiazol-4-yl)carbonyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine
CID 56869927

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-1,3-thiazol-4-yl)-1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]propan-1-one?
The IUPAC name of 3-(2-amino-1,3-thiazol-4-yl)-1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]propan-1-one (CID 118783979) is 3-(2-amino-1,3-thiazol-4-yl)-1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]propan-1-one.
What is the SMILES notation for 3-(2-amino-1,3-thiazol-4-yl)-1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]propan-1-one?
The canonical SMILES for 3-(2-amino-1,3-thiazol-4-yl)-1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]propan-1-one is CN(C)c1nc2c(c(N(C)C)n1)CCN(C(=O)CCc1csc(N)n1)C2.
What is the InChIKey of 3-(2-amino-1,3-thiazol-4-yl)-1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]propan-1-one?
The InChIKey is HOINHXXPBJWOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7OS/c1-22(2)15-12-7-8-24(9-13(12)20-17(21-15)23(3)4)14(25)6-5-11-10-26-16(18)19-11/h10H,5-9H2,1-4H3,(H2,18,19).
What are the key properties of 3-(2-amino-1,3-thiazol-4-yl)-1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]propan-1-one?
3-(2-amino-1,3-thiazol-4-yl)-1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]propan-1-one has a molecular weight of 375.50 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-1,3-thiazol-4-yl)-1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]propan-1-one is sourced from PubChem (CID 118783979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).