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

C10H12ClN5S — CID 106811993

IUPAC5-chloro-4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
SMILESCc1csc(C(C)Nc2ncnc(N)c2Cl)n1
InChIInChI=1S/C10H12ClN5S/c1-5-3-17-10(15-5)6(2)16-9-7(11)8(12)13-4-14-9/h3-4,6H,1-2H3,(H3,12,13,14,16)
InChIKeyHPEMEGOZJIQONJ-UHFFFAOYSA-N
MW269.76 g/mol
LogP2.65
Rot. Bonds3

About 5-chloro-4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine

5-chloro-4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine (PubChem CID 106811993) has the molecular formula C10H12ClN5S and a molecular weight of 269.76 g/mol. Its IUPAC name is 5-chloro-4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-chloro-4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
PubChem CID106811993
Molecular FormulaC10H12ClN5S
Molecular Weight269.76 g/mol
Exact Mass269.05
IUPAC Name5-chloro-4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
SMILESCc1csc(C(C)Nc2ncnc(N)c2Cl)n1
InChIInChI=1S/C10H12ClN5S/c1-5-3-17-10(15-5)6(2)16-9-7(11)8(12)13-4-14-9/h3-4,6H,1-2H3,(H3,12,13,14,16)
InChIKeyHPEMEGOZJIQONJ-UHFFFAOYSA-N
XLogP2.65
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.76
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-methyl-4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-propan-2-ylpyrimidine-4,6-diamine
CID 80845227
5-chloro-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine
CID 106811735
N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-7H-purin-6-amine
CID 39782171
3-bromo-2-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-2,5-diamine
CID 79534289
5-chloro-4-N-[1-(3,4-dichlorophenyl)ethyl]pyrimidine-4,6-diamine
CID 146091234
2-hydrazinyl-5-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
CID 80917854
4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103328271
4-chloro-2-methyl-6-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyrimidine-5-carbaldehyde
CID 80725960
2-chloro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridin-4-amine
CID 103756779
6-hydrazinyl-5-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine
CID 81006218
5-chloro-4-N-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine
CID 114049758
5-chloro-4-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 113372633

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine?
The IUPAC name of 5-chloro-4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine (CID 106811993) is 5-chloro-4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 5-chloro-4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine?
The canonical SMILES for 5-chloro-4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine is Cc1csc(C(C)Nc2ncnc(N)c2Cl)n1.
What is the InChIKey of 5-chloro-4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine?
The InChIKey is HPEMEGOZJIQONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5S/c1-5-3-17-10(15-5)6(2)16-9-7(11)8(12)13-4-14-9/h3-4,6H,1-2H3,(H3,12,13,14,16).
What are the key properties of 5-chloro-4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine?
5-chloro-4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine has a molecular weight of 269.76 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 106811993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).