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

C9H10ClN5S — CID 78946443

IUPAC6-chloro-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine
SMILESCC(Nc1cc(Cl)nc(N)n1)c1nccs1
InChIInChI=1S/C9H10ClN5S/c1-5(8-12-2-3-16-8)13-7-4-6(10)14-9(11)15-7/h2-5H,1H3,(H3,11,13,14,15)
InChIKeyDUVCMFNPYOGKMI-UHFFFAOYSA-N
MW255.73 g/mol
LogP2.34
Rot. Bonds3

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

6-chloro-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine (PubChem CID 78946443) has the molecular formula C9H10ClN5S and a molecular weight of 255.73 g/mol. Its IUPAC name is 6-chloro-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine
PubChem CID78946443
Molecular FormulaC9H10ClN5S
Molecular Weight255.73 g/mol
Exact Mass255.03
IUPAC Name6-chloro-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine
SMILESCC(Nc1cc(Cl)nc(N)n1)c1nccs1
InChIInChI=1S/C9H10ClN5S/c1-5(8-12-2-3-16-8)13-7-4-6(10)14-9(11)15-7/h2-5H,1H3,(H3,11,13,14,15)
InChIKeyDUVCMFNPYOGKMI-UHFFFAOYSA-N
XLogP2.34
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.73
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine (CID 78946443) is 6-chloro-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine is CC(Nc1cc(Cl)nc(N)n1)c1nccs1.
What is the InChIKey of 6-chloro-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine?
The InChIKey is DUVCMFNPYOGKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN5S/c1-5(8-12-2-3-16-8)13-7-4-6(10)14-9(11)15-7/h2-5H,1H3,(H3,11,13,14,15).
What are the key properties of 6-chloro-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine?
6-chloro-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine has a molecular weight of 255.73 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 78946443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).