4-N,6-N-dimethyl-2-propan-2-yl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine

C13H19N5S — CID 80961827

IUPAC4-N,6-N-dimethyl-2-propan-2-yl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine
SMILESCNc1cc(N(C)Cc2cscn2)nc(C(C)C)n1
InChIInChI=1S/C13H19N5S/c1-9(2)13-16-11(14-3)5-12(17-13)18(4)6-10-7-19-8-15-10/h5,7-9H,6H2,1-4H3,(H,14,16,17)
InChIKeyMAMXKPSTJKQQLJ-UHFFFAOYSA-N
MW277.40 g/mol
LogP2.73
Rot. Bonds5

About 4-N,6-N-dimethyl-2-propan-2-yl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine

4-N,6-N-dimethyl-2-propan-2-yl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 80961827) has the molecular formula C13H19N5S and a molecular weight of 277.40 g/mol. Its IUPAC name is 4-N,6-N-dimethyl-2-propan-2-yl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,6-N-dimethyl-2-propan-2-yl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine
PubChem CID80961827
Molecular FormulaC13H19N5S
Molecular Weight277.40 g/mol
Exact Mass277.14
IUPAC Name4-N,6-N-dimethyl-2-propan-2-yl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine
SMILESCNc1cc(N(C)Cc2cscn2)nc(C(C)C)n1
InChIInChI=1S/C13H19N5S/c1-9(2)13-16-11(14-3)5-12(17-13)18(4)6-10-7-19-8-15-10/h5,7-9H,6H2,1-4H3,(H,14,16,17)
InChIKeyMAMXKPSTJKQQLJ-UHFFFAOYSA-N
XLogP2.73
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.40
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-N,6-N-dimethyl-6-N-(1,3-thiazol-4-ylmethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718111
4-N-[(4-chlorophenyl)methyl]-4-N,6-N-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80961121
2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyrazine-2,5-diamine
CID 80653268
4-N,6-N-dimethyl-4-N-pentan-3-yl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80967077
2-[methyl-[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-N-propan-2-ylacetamide
CID 80961506
4-(aminomethyl)-N-methyl-2-propan-2-yl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-5-amine
CID 62286192
4-N-(3,5-dimethylphenyl)-4-N,6-N-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80967150
4-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine
CID 78929995
4-N,4-N-bis(2-methoxyethyl)-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80962058
4-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771484
1-N,2-N-dimethyl-2-N-(1,3-thiazol-4-ylmethyl)propane-1,2-diamine
CID 62426470
6-N-methyl-6-N-(1,3-thiazol-4-ylmethyl)pyridine-2,3,6-triamine
CID 79825816

Frequently Asked Questions

What is the IUPAC name of 4-N,6-N-dimethyl-2-propan-2-yl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N,6-N-dimethyl-2-propan-2-yl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine (CID 80961827) is 4-N,6-N-dimethyl-2-propan-2-yl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,6-N-dimethyl-2-propan-2-yl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N,6-N-dimethyl-2-propan-2-yl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine is CNc1cc(N(C)Cc2cscn2)nc(C(C)C)n1.
What is the InChIKey of 4-N,6-N-dimethyl-2-propan-2-yl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is MAMXKPSTJKQQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5S/c1-9(2)13-16-11(14-3)5-12(17-13)18(4)6-10-7-19-8-15-10/h5,7-9H,6H2,1-4H3,(H,14,16,17).
What are the key properties of 4-N,6-N-dimethyl-2-propan-2-yl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine?
4-N,6-N-dimethyl-2-propan-2-yl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 277.40 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-N-dimethyl-2-propan-2-yl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80961827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).