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

C10H12ClN5S — CID 80828978

IUPAC5-chloro-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine
SMILESCc1csc(CCNc2nc(N)ncc2Cl)n1
InChIInChI=1S/C10H12ClN5S/c1-6-5-17-8(15-6)2-3-13-9-7(11)4-14-10(12)16-9/h4-5H,2-3H2,1H3,(H3,12,13,14,16)
InChIKeyMSRVVKFGZMQDFN-UHFFFAOYSA-N
MW269.76 g/mol
LogP2.13
Rot. Bonds4

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

5-chloro-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine (PubChem CID 80828978) has the molecular formula C10H12ClN5S and a molecular weight of 269.76 g/mol. Its IUPAC name is 5-chloro-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine
PubChem CID80828978
Molecular FormulaC10H12ClN5S
Molecular Weight269.76 g/mol
Exact Mass269.05
IUPAC Name5-chloro-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine
SMILESCc1csc(CCNc2nc(N)ncc2Cl)n1
InChIInChI=1S/C10H12ClN5S/c1-6-5-17-8(15-6)2-3-13-9-7(11)4-14-10(12)16-9/h4-5H,2-3H2,1H3,(H3,12,13,14,16)
InChIKeyMSRVVKFGZMQDFN-UHFFFAOYSA-N
XLogP2.13
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.76
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine (CID 80828978) is 5-chloro-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine is Cc1csc(CCNc2nc(N)ncc2Cl)n1.
What is the InChIKey of 5-chloro-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine?
The InChIKey is MSRVVKFGZMQDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5S/c1-6-5-17-8(15-6)2-3-13-9-7(11)4-14-10(12)16-9/h4-5H,2-3H2,1H3,(H3,12,13,14,16).
What are the key properties of 5-chloro-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine?
5-chloro-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine has a molecular weight of 269.76 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 80828978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).