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

C10H13N5S — CID 80808044

IUPAC6-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine
SMILESCNc1cc(NCc2csc(C)n2)ncn1
InChIInChI=1S/C10H13N5S/c1-7-15-8(5-16-7)4-12-10-3-9(11-2)13-6-14-10/h3,5-6H,4H2,1-2H3,(H2,11,12,13,14)
InChIKeyWHXFJCBLWITPRD-UHFFFAOYSA-N
MW235.32 g/mol
LogP1.90
Rot. Bonds4

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

6-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine (PubChem CID 80808044) has the molecular formula C10H13N5S and a molecular weight of 235.32 g/mol. Its IUPAC name is 6-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine
PubChem CID80808044
Molecular FormulaC10H13N5S
Molecular Weight235.32 g/mol
Exact Mass235.09
IUPAC Name6-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine
SMILESCNc1cc(NCc2csc(C)n2)ncn1
InChIInChI=1S/C10H13N5S/c1-7-15-8(5-16-7)4-12-10-3-9(11-2)13-6-14-10/h3,5-6H,4H2,1-2H3,(H2,11,12,13,14)
InChIKeyWHXFJCBLWITPRD-UHFFFAOYSA-N
XLogP1.90
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.32
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
CID 61283435
5-bromo-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine
CID 115773935
2-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine
CID 80807957
4-[[(6-ethoxypyrimidin-4-yl)amino]methyl]-N-methyl-1,3-thiazol-2-amine
CID 86795914
6-N,2-diethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine
CID 80935385
N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinoxalin-2-amine
CID 47292925
6-bromo-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine
CID 106038164
6-N-ethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80960727
5-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine
CID 115735816
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine;hydrate;dihydrochloride
CID 74892089
3,6-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazin-2-amine
CID 65416461
4-[[(6-ethoxypyrimidin-4-yl)amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine
CID 86816209

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine?
The IUPAC name of 6-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine (CID 80808044) is 6-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine is CNc1cc(NCc2csc(C)n2)ncn1.
What is the InChIKey of 6-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine?
The InChIKey is WHXFJCBLWITPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5S/c1-7-15-8(5-16-7)4-12-10-3-9(11-2)13-6-14-10/h3,5-6H,4H2,1-2H3,(H2,11,12,13,14).
What are the key properties of 6-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine?
6-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine has a molecular weight of 235.32 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80808044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).