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

C10H13N5S — CID 78929804

IUPAC4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
SMILESCc1csc(CCNc2cc(N)ncn2)n1
InChIInChI=1S/C10H13N5S/c1-7-5-16-10(15-7)2-3-12-9-4-8(11)13-6-14-9/h4-6H,2-3H2,1H3,(H3,11,12,13,14)
InChIKeyQOGJYRWMYHWZCA-UHFFFAOYSA-N
MW235.32 g/mol
LogP1.48
Rot. Bonds4

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

4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine (PubChem CID 78929804) has the molecular formula C10H13N5S and a molecular weight of 235.32 g/mol. Its IUPAC name is 4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
PubChem CID78929804
Molecular FormulaC10H13N5S
Molecular Weight235.32 g/mol
Exact Mass235.09
IUPAC Name4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
SMILESCc1csc(CCNc2cc(N)ncn2)n1
InChIInChI=1S/C10H13N5S/c1-7-5-16-10(15-7)2-3-12-9-4-8(11)13-6-14-9/h4-6H,2-3H2,1H3,(H3,11,12,13,14)
InChIKeyQOGJYRWMYHWZCA-UHFFFAOYSA-N
XLogP1.48
TPSA76.72 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 ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-2-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-2,5-diamine
CID 79176329
2,4,6-trimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]aniline
CID 82121506
2-(4-methyl-1,3-thiazol-2-yl)ethylhydrazine
CID 105220758
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2,4-thiadiazol-5-amine
CID 65274494
6-chloro-2-methylsulfanyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
CID 80547131
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-5-amine
CID 82538991
4-bromo-5-fluoro-1-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzene-1,2-diamine
CID 66112510
6-chloro-5-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
CID 63729718
5-chloro-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine
CID 80828978
2-N-ethyl-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine
CID 80827845
2,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]aniline
CID 82118529
2-cyclopropyl-6-N-methyl-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80957330

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine (CID 78929804) is 4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine is Cc1csc(CCNc2cc(N)ncn2)n1.
What is the InChIKey of 4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine?
The InChIKey is QOGJYRWMYHWZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5S/c1-7-5-16-10(15-7)2-3-12-9-4-8(11)13-6-14-9/h4-6H,2-3H2,1H3,(H3,11,12,13,14).
What are the key properties of 4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine?
4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine has a molecular weight of 235.32 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 78929804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).