2-cyclopropyl-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-N-propylpyrimidine-4,6-diamine

C15H21N5S — CID 80961678

IUPAC2-cyclopropyl-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NCc2nc(C)cs2)nc(C2CC2)n1
InChIInChI=1S/C15H21N5S/c1-3-6-16-12-7-13(20-15(19-12)11-4-5-11)17-8-14-18-10(2)9-21-14/h7,9,11H,3-6,8H2,1-2H3,(H2,16,17,19,20)
InChIKeyNOPIORKXPJQQEM-UHFFFAOYSA-N
MW303.44 g/mol
LogP3.55
Rot. Bonds7

About 2-cyclopropyl-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-N-propylpyrimidine-4,6-diamine

2-cyclopropyl-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80961678) has the molecular formula C15H21N5S and a molecular weight of 303.44 g/mol. Its IUPAC name is 2-cyclopropyl-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-N-propylpyrimidine-4,6-diamine
PubChem CID80961678
Molecular FormulaC15H21N5S
Molecular Weight303.44 g/mol
Exact Mass303.15
IUPAC Name2-cyclopropyl-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NCc2nc(C)cs2)nc(C2CC2)n1
InChIInChI=1S/C15H21N5S/c1-3-6-16-12-7-13(20-15(19-12)11-4-5-11)17-8-14-18-10(2)9-21-14/h7,9,11H,3-6,8H2,1-2H3,(H2,16,17,19,20)
InChIKeyNOPIORKXPJQQEM-UHFFFAOYSA-N
XLogP3.55
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.44
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-cyclopropyl-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-N-propylpyrimidine-4,6-diamine with MolForge

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Related Compounds

4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 80807651
2-cyclopropyl-6-N-methyl-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80957330
2-cyclopropyl-4-N-[(5-methylthiophen-2-yl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80967847
2-cyclopropyl-6-(2-methylthiophen-3-yl)-N-propylpyrimidin-4-amine
CID 102838352
4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80807385
2-cyclopropyl-N-propyl-6-thiophen-2-ylpyrimidin-4-amine
CID 80952104
4,6-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridin-2-amine
CID 115750507
2,6-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine
CID 60733823
2-cyclopropyl-4-N-propylpyrimidine-4,6-diamine
CID 80956858
2-cyclopropyl-4-N-(3-ethylpentan-3-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80959196
2-cyclopropyl-4-N-(1-methylcyclohexyl)-6-N-propylpyrimidine-4,6-diamine
CID 80967565
2-cyclopropyl-4-N-(3-propoxypropyl)-6-N-propylpyrimidine-4,6-diamine
CID 82941617

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 2-cyclopropyl-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-N-propylpyrimidine-4,6-diamine (CID 80961678) is 2-cyclopropyl-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-N-propylpyrimidine-4,6-diamine is CCCNc1cc(NCc2nc(C)cs2)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is NOPIORKXPJQQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5S/c1-3-6-16-12-7-13(20-15(19-12)11-4-5-11)17-8-14-18-10(2)9-21-14/h7,9,11H,3-6,8H2,1-2H3,(H2,16,17,19,20).
What are the key properties of 2-cyclopropyl-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-N-propylpyrimidine-4,6-diamine?
2-cyclopropyl-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 303.44 g/mol, XLogP of 3.55, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80961678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).