6-N-methyl-5-propyl-4-N-(1,3-thiazol-2-ylmethyl)pyrimidine-4,6-diamine

C12H17N5S — CID 80807627

IUPAC6-N-methyl-5-propyl-4-N-(1,3-thiazol-2-ylmethyl)pyrimidine-4,6-diamine
SMILESCCCc1c(NC)ncnc1NCc1nccs1
InChIInChI=1S/C12H17N5S/c1-3-4-9-11(13-2)16-8-17-12(9)15-7-10-14-5-6-18-10/h5-6,8H,3-4,7H2,1-2H3,(H2,13,15,16,17)
InChIKeyUIDOBQNEWCJSNS-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.54
Rot. Bonds6

About 6-N-methyl-5-propyl-4-N-(1,3-thiazol-2-ylmethyl)pyrimidine-4,6-diamine

6-N-methyl-5-propyl-4-N-(1,3-thiazol-2-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 80807627) has the molecular formula C12H17N5S and a molecular weight of 263.37 g/mol. Its IUPAC name is 6-N-methyl-5-propyl-4-N-(1,3-thiazol-2-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-methyl-5-propyl-4-N-(1,3-thiazol-2-ylmethyl)pyrimidine-4,6-diamine
PubChem CID80807627
Molecular FormulaC12H17N5S
Molecular Weight263.37 g/mol
Exact Mass263.12
IUPAC Name6-N-methyl-5-propyl-4-N-(1,3-thiazol-2-ylmethyl)pyrimidine-4,6-diamine
SMILESCCCc1c(NC)ncnc1NCc1nccs1
InChIInChI=1S/C12H17N5S/c1-3-4-9-11(13-2)16-8-17-12(9)15-7-10-14-5-6-18-10/h5-6,8H,3-4,7H2,1-2H3,(H2,13,15,16,17)
InChIKeyUIDOBQNEWCJSNS-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-ethyl-5-propyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80827666
4-N-ethyl-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80770650
6-chloro-5-ethyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine
CID 63728982
N-methyl-5-propyl-6-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-amine
CID 80886227
6-N-methyl-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-propylpyrimidine-4,6-diamine
CID 80828380
6-N-methyl-4-N-[(5-methylthiophen-2-yl)methyl]-5-propylpyrimidine-4,6-diamine
CID 80818107
5-propan-2-yl-6-N-propyl-4-N-(1,3-thiazol-2-ylmethyl)pyrimidine-4,6-diamine
CID 80808040
6-N-methyl-4-N-[(2-methylpyrimidin-4-yl)methyl]-5-propylpyrimidine-4,6-diamine
CID 80814068
2-N,3-N-bis(1,3-thiazol-2-ylmethyl)pyrazine-2,3-diamine
CID 86794222
5-ethyl-N-propyl-6-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine
CID 79819683
4-N-[(1-ethylcyclopropyl)methyl]-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 114102516
6-N-ethyl-4-N-[(3-ethylthiophen-2-yl)methyl]-5-propylpyrimidine-4,6-diamine
CID 80839995

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-5-propyl-4-N-(1,3-thiazol-2-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-methyl-5-propyl-4-N-(1,3-thiazol-2-ylmethyl)pyrimidine-4,6-diamine (CID 80807627) is 6-N-methyl-5-propyl-4-N-(1,3-thiazol-2-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-methyl-5-propyl-4-N-(1,3-thiazol-2-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-methyl-5-propyl-4-N-(1,3-thiazol-2-ylmethyl)pyrimidine-4,6-diamine is CCCc1c(NC)ncnc1NCc1nccs1.
What is the InChIKey of 6-N-methyl-5-propyl-4-N-(1,3-thiazol-2-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is UIDOBQNEWCJSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5S/c1-3-4-9-11(13-2)16-8-17-12(9)15-7-10-14-5-6-18-10/h5-6,8H,3-4,7H2,1-2H3,(H2,13,15,16,17).
What are the key properties of 6-N-methyl-5-propyl-4-N-(1,3-thiazol-2-ylmethyl)pyrimidine-4,6-diamine?
6-N-methyl-5-propyl-4-N-(1,3-thiazol-2-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 263.37 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-5-propyl-4-N-(1,3-thiazol-2-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80807627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).