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

C9H11N5S — CID 78929995

IUPAC4-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine
SMILESCN(Cc1cscn1)c1cc(N)ncn1
InChIInChI=1S/C9H11N5S/c1-14(3-7-4-15-6-13-7)9-2-8(10)11-5-12-9/h2,4-6H,3H2,1H3,(H2,10,11,12)
InChIKeySOACSRNBHFRCLO-UHFFFAOYSA-N
MW221.29 g/mol
LogP1.15
Rot. Bonds3

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

4-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 78929995) has the molecular formula C9H11N5S and a molecular weight of 221.29 g/mol. Its IUPAC name is 4-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine
PubChem CID78929995
Molecular FormulaC9H11N5S
Molecular Weight221.29 g/mol
Exact Mass221.07
IUPAC Name4-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine
SMILESCN(Cc1cscn1)c1cc(N)ncn1
InChIInChI=1S/C9H11N5S/c1-14(3-7-4-15-6-13-7)9-2-8(10)11-5-12-9/h2,4-6H,3H2,1H3,(H2,10,11,12)
InChIKeySOACSRNBHFRCLO-UHFFFAOYSA-N
XLogP1.15
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyrazine-2,5-diamine
CID 80653268
2-N,5-dimethyl-2-N-(1,3-thiazol-4-ylmethyl)pyridine-2,4-diamine
CID 83266327
4-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771484
6-N-methyl-6-N-(1,3-thiazol-4-ylmethyl)pyridine-2,3,6-triamine
CID 79825816
6-ethoxy-2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyridine-2,5-diamine
CID 55013621
6-bromo-2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-diamine
CID 116796517
4-N-methyl-6-N-(oxan-3-yl)-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine
CID 128967429
2-N,5-dimethyl-2-N-(1,3-thiazol-4-ylmethyl)pyridine-2,3-diamine
CID 66278220
4-(aminomethyl)-2,6-difluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 63076116
4-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)-2,1,3-benzoxadiazole-4,7-diamine
CID 55013899
6-chloro-N,5-dimethyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-4-amine
CID 63728838
4-N-[(2-chlorophenyl)methyl]-4-N-methylpyrimidine-4,6-diamine
CID 78929716

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine (CID 78929995) is 4-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine is CN(Cc1cscn1)c1cc(N)ncn1.
What is the InChIKey of 4-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is SOACSRNBHFRCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5S/c1-14(3-7-4-15-6-13-7)9-2-8(10)11-5-12-9/h2,4-6H,3H2,1H3,(H2,10,11,12).
What are the key properties of 4-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine?
4-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 221.29 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 78929995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).