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

C12H18N6S — CID 80807651

IUPAC4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-N-propylpyrimidine-2,4,6-triamine
SMILESCCCNc1cc(NCc2nc(C)cs2)nc(N)n1
InChIInChI=1S/C12H18N6S/c1-3-4-14-9-5-10(18-12(13)17-9)15-6-11-16-8(2)7-19-11/h5,7H,3-4,6H2,1-2H3,(H4,13,14,15,17,18)
InChIKeyGJTJWNGYBORFFH-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.26
Rot. Bonds6

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

4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-N-propylpyrimidine-2,4,6-triamine (PubChem CID 80807651) has the molecular formula C12H18N6S and a molecular weight of 278.38 g/mol. Its IUPAC name is 4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-N-propylpyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-N-propylpyrimidine-2,4,6-triamine
PubChem CID80807651
Molecular FormulaC12H18N6S
Molecular Weight278.38 g/mol
Exact Mass278.13
IUPAC Name4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-N-propylpyrimidine-2,4,6-triamine
SMILESCCCNc1cc(NCc2nc(C)cs2)nc(N)n1
InChIInChI=1S/C12H18N6S/c1-3-4-14-9-5-10(18-12(13)17-9)15-6-11-16-8(2)7-19-11/h5,7H,3-4,6H2,1-2H3,(H4,13,14,15,17,18)
InChIKeyGJTJWNGYBORFFH-UHFFFAOYSA-N
XLogP2.26
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

6-hydrazinyl-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidine-2,4-diamine
CID 80896903
2-cyclopropyl-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80961678
4-N-[(4-methylthiophen-3-yl)methyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 80852357
4-N-[(4,5-dimethylthiophen-2-yl)methyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 80842748
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
4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80807385
4-N-[(3-ethylthiophen-2-yl)methyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 80855130
2-tert-butyl-6-hydrazinyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine
CID 80964799
6-N-methyl-4-N-propylpyrimidine-2,4,6-triamine
CID 80766256
4-N-[(5-chlorothiophen-2-yl)methyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 80836366
4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 80814394

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-N-propylpyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-N-propylpyrimidine-2,4,6-triamine (CID 80807651) is 4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-N-propylpyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-N-propylpyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-N-propylpyrimidine-2,4,6-triamine is CCCNc1cc(NCc2nc(C)cs2)nc(N)n1.
What is the InChIKey of 4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-N-propylpyrimidine-2,4,6-triamine?
The InChIKey is GJTJWNGYBORFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6S/c1-3-4-14-9-5-10(18-12(13)17-9)15-6-11-16-8(2)7-19-11/h5,7H,3-4,6H2,1-2H3,(H4,13,14,15,17,18).
What are the key properties of 4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-N-propylpyrimidine-2,4,6-triamine?
4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-N-propylpyrimidine-2,4,6-triamine has a molecular weight of 278.38 g/mol, XLogP of 2.26, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-N-propylpyrimidine-2,4,6-triamine is sourced from PubChem (CID 80807651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).