4-(1,3-thiazol-5-ylmethyl)-1H-pyrimidine-4,6-diamine

C8H11N5S — CID 154391224

IUPAC4-(1,3-thiazol-5-ylmethyl)-1H-pyrimidine-4,6-diamine
SMILESNC1=CC(N)(Cc2cncs2)N=CN1
InChIInChI=1S/C8H11N5S/c9-7-2-8(10,13-4-12-7)1-6-3-11-5-14-6/h2-5H,1,9-10H2,(H,12,13)
InChIKeyNCDQKSQHQQRGHY-UHFFFAOYSA-N
MW209.28 g/mol
LogP-0.23
Rot. Bonds2

About 4-(1,3-thiazol-5-ylmethyl)-1H-pyrimidine-4,6-diamine

4-(1,3-thiazol-5-ylmethyl)-1H-pyrimidine-4,6-diamine (PubChem CID 154391224) has the molecular formula C8H11N5S and a molecular weight of 209.28 g/mol. Its IUPAC name is 4-(1,3-thiazol-5-ylmethyl)-1H-pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-(1,3-thiazol-5-ylmethyl)-1H-pyrimidine-4,6-diamine
PubChem CID154391224
Molecular FormulaC8H11N5S
Molecular Weight209.28 g/mol
Exact Mass209.07
IUPAC Name4-(1,3-thiazol-5-ylmethyl)-1H-pyrimidine-4,6-diamine
SMILESNC1=CC(N)(Cc2cncs2)N=CN1
InChIInChI=1S/C8H11N5S/c9-7-2-8(10,13-4-12-7)1-6-3-11-5-14-6/h2-5H,1,9-10H2,(H,12,13)
InChIKeyNCDQKSQHQQRGHY-UHFFFAOYSA-N
XLogP-0.23
TPSA89.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.28
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-(1,3-thiazol-5-ylmethyl)-1H-pyrimidine-4,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1,3-thiazol-5-ylmethyl)cycloheptan-1-amine
CID 112642126
5-[(4-fluoropiperidin-4-yl)methyl]-1,3-thiazole
CID 112645695
5-[(3-methylazetidin-3-yl)methyl]-1,3-thiazole
CID 112645456
[1-(1,3-thiazol-5-ylmethyl)cyclohexyl]methanol
CID 112645220
3-ethyl-1-(1,3-thiazol-5-ylmethyl)cyclohexan-1-amine
CID 112642173
4-(1,3-thiazol-5-ylmethyl)oxan-4-ol
CID 112641803
1-(1,3-thiazol-5-ylmethyl)cyclopropane-1-carbaldehyde
CID 130672635
2-ethyl-1-(1,3-thiazol-5-ylmethyl)cyclohexan-1-amine
CID 112642174
[3-ethyl-1-(1,3-thiazol-5-ylmethyl)cyclopentyl]methanamine
CID 112645149
4-ethyl-1-(1,3-thiazol-5-ylmethyl)cycloheptan-1-amine
CID 112642190
3-(1,3-thiazol-5-ylmethyl)oxolan-3-ol
CID 112641806
5-[[3-(bromomethyl)-2-methyloxolan-3-yl]methyl]-1,3-thiazole
CID 114535901

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-thiazol-5-ylmethyl)-1H-pyrimidine-4,6-diamine?
The IUPAC name of 4-(1,3-thiazol-5-ylmethyl)-1H-pyrimidine-4,6-diamine (CID 154391224) is 4-(1,3-thiazol-5-ylmethyl)-1H-pyrimidine-4,6-diamine.
What is the SMILES notation for 4-(1,3-thiazol-5-ylmethyl)-1H-pyrimidine-4,6-diamine?
The canonical SMILES for 4-(1,3-thiazol-5-ylmethyl)-1H-pyrimidine-4,6-diamine is NC1=CC(N)(Cc2cncs2)N=CN1.
What is the InChIKey of 4-(1,3-thiazol-5-ylmethyl)-1H-pyrimidine-4,6-diamine?
The InChIKey is NCDQKSQHQQRGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5S/c9-7-2-8(10,13-4-12-7)1-6-3-11-5-14-6/h2-5H,1,9-10H2,(H,12,13).
What are the key properties of 4-(1,3-thiazol-5-ylmethyl)-1H-pyrimidine-4,6-diamine?
4-(1,3-thiazol-5-ylmethyl)-1H-pyrimidine-4,6-diamine has a molecular weight of 209.28 g/mol, XLogP of -0.23, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-thiazol-5-ylmethyl)-1H-pyrimidine-4,6-diamine is sourced from PubChem (CID 154391224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).