4-N,6-N-dimethyl-4-N,6-N-bis(1,3-thiazol-2-ylmethyl)pyrimidine-4,6-diamine

C14H16N6S2 — CID 75524467

IUPAC4-N,6-N-dimethyl-4-N,6-N-bis(1,3-thiazol-2-ylmethyl)pyrimidine-4,6-diamine
SMILESCN(Cc1nccs1)c1cc(N(C)Cc2nccs2)ncn1
InChIInChI=1S/C14H16N6S2/c1-19(8-13-15-3-5-21-13)11-7-12(18-10-17-11)20(2)9-14-16-4-6-22-14/h3-7,10H,8-9H2,1-2H3
InChIKeyRGAUAXKWYKHNRT-UHFFFAOYSA-N
MW332.46 g/mol
LogP2.66
Rot. Bonds6

About 4-N,6-N-dimethyl-4-N,6-N-bis(1,3-thiazol-2-ylmethyl)pyrimidine-4,6-diamine

4-N,6-N-dimethyl-4-N,6-N-bis(1,3-thiazol-2-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 75524467) has the molecular formula C14H16N6S2 and a molecular weight of 332.46 g/mol. Its IUPAC name is 4-N,6-N-dimethyl-4-N,6-N-bis(1,3-thiazol-2-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,6-N-dimethyl-4-N,6-N-bis(1,3-thiazol-2-ylmethyl)pyrimidine-4,6-diamine
PubChem CID75524467
Molecular FormulaC14H16N6S2
Molecular Weight332.46 g/mol
Exact Mass332.09
IUPAC Name4-N,6-N-dimethyl-4-N,6-N-bis(1,3-thiazol-2-ylmethyl)pyrimidine-4,6-diamine
SMILESCN(Cc1nccs1)c1cc(N(C)Cc2nccs2)ncn1
InChIInChI=1S/C14H16N6S2/c1-19(8-13-15-3-5-21-13)11-7-12(18-10-17-11)20(2)9-14-16-4-6-22-14/h3-7,10H,8-9H2,1-2H3
InChIKeyRGAUAXKWYKHNRT-UHFFFAOYSA-N
XLogP2.66
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.46
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

6-(3-aminocyclobutyl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine;dihydrochloride
CID 154902032
4-N-methyl-6-N-[(3R)-oxan-3-yl]-4-N-(1,3-thiazol-2-ylmethyl)pyrimidine-4,6-diamine
CID 129343091
6-chloro-N-methyl-N-(1,3-thiazol-2-ylmethyl)pyridazin-3-amine
CID 130834903
1-N,1-N,2-N-trimethyl-2-N-(1,3-thiazol-2-ylmethyl)benzene-1,2-diamine
CID 75482753
N-methyl-6-piperidin-1-yl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
CID 133413104
N,N-bis(1,3-thiazol-2-ylmethyl)ethanamine
CID 70991421
4-[methyl(1,3-thiazol-2-ylmethyl)amino]benzonitrile
CID 79214308
6-(3-aminocyclobutyl)-4-N-methyl-4-N-(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-diamine;dihydrochloride
CID 154902159
2-[methyl(1,3-thiazol-2-ylmethyl)amino]-1,3-thiazol-4-one
CID 131114975
2-[methyl(1,3-thiazol-2-ylmethyl)amino]acetonitrile
CID 79421779
6-ethoxy-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrimidin-4-amine
CID 133485067
2-methyl-2-[methyl(1,3-thiazol-2-ylmethyl)amino]propan-1-ol
CID 115752782

Frequently Asked Questions

What is the IUPAC name of 4-N,6-N-dimethyl-4-N,6-N-bis(1,3-thiazol-2-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N,6-N-dimethyl-4-N,6-N-bis(1,3-thiazol-2-ylmethyl)pyrimidine-4,6-diamine (CID 75524467) is 4-N,6-N-dimethyl-4-N,6-N-bis(1,3-thiazol-2-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,6-N-dimethyl-4-N,6-N-bis(1,3-thiazol-2-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N,6-N-dimethyl-4-N,6-N-bis(1,3-thiazol-2-ylmethyl)pyrimidine-4,6-diamine is CN(Cc1nccs1)c1cc(N(C)Cc2nccs2)ncn1.
What is the InChIKey of 4-N,6-N-dimethyl-4-N,6-N-bis(1,3-thiazol-2-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is RGAUAXKWYKHNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6S2/c1-19(8-13-15-3-5-21-13)11-7-12(18-10-17-11)20(2)9-14-16-4-6-22-14/h3-7,10H,8-9H2,1-2H3.
What are the key properties of 4-N,6-N-dimethyl-4-N,6-N-bis(1,3-thiazol-2-ylmethyl)pyrimidine-4,6-diamine?
4-N,6-N-dimethyl-4-N,6-N-bis(1,3-thiazol-2-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 332.46 g/mol, XLogP of 2.66, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-N-dimethyl-4-N,6-N-bis(1,3-thiazol-2-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 75524467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).