4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-N-propylpyrimidine-2,4-diamine

C12H17N5S — CID 80807385

IUPAC4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nccc(NCc2nc(C)cs2)n1
InChIInChI=1S/C12H17N5S/c1-3-5-13-12-14-6-4-10(17-12)15-7-11-16-9(2)8-18-11/h4,6,8H,3,5,7H2,1-2H3,(H2,13,14,15,17)
InChIKeyXVSBRDDXWHZBLH-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.68
Rot. Bonds6

About 4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-N-propylpyrimidine-2,4-diamine

4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-N-propylpyrimidine-2,4-diamine (PubChem CID 80807385) has the molecular formula C12H17N5S and a molecular weight of 263.37 g/mol. Its IUPAC name is 4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-N-propylpyrimidine-2,4-diamine
PubChem CID80807385
Molecular FormulaC12H17N5S
Molecular Weight263.37 g/mol
Exact Mass263.12
IUPAC Name4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nccc(NCc2nc(C)cs2)n1
InChIInChI=1S/C12H17N5S/c1-3-5-13-12-14-6-4-10(17-12)15-7-11-16-9(2)8-18-11/h4,6,8H,3,5,7H2,1-2H3,(H2,13,14,15,17)
InChIKeyXVSBRDDXWHZBLH-UHFFFAOYSA-N
XLogP2.68
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-ethyl-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine
CID 80827845
4-N-[(3-methylthiophen-2-yl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80854631
4-N-[(4-methylthiophen-3-yl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80855068
N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-2-amine
CID 60706641
4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 80807651
2-cyclopropyl-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80961678
4-(2-methylthiophen-3-yl)-N-propylpyrimidin-2-amine
CID 102838569
4-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridin-2-amine
CID 115777095
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-(propylamino)pyridine-3-sulfonamide
CID 62158645
4-N-[(1-ethylcyclopropyl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 114102533
5,6-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazin-2-amine
CID 114475451
4,6-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-2-amine
CID 60733825

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-N-propylpyrimidine-2,4-diamine (CID 80807385) is 4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-N-propylpyrimidine-2,4-diamine is CCCNc1nccc(NCc2nc(C)cs2)n1.
What is the InChIKey of 4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is XVSBRDDXWHZBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5S/c1-3-5-13-12-14-6-4-10(17-12)15-7-11-16-9(2)8-18-11/h4,6,8H,3,5,7H2,1-2H3,(H2,13,14,15,17).
What are the key properties of 4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-N-propylpyrimidine-2,4-diamine?
4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 263.37 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80807385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).