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

C11H12ClN5S — CID 100649053

IUPAC5-chloro-4-N-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]pyrimidine-4,6-diamine
SMILESNc1ncnc(N[C@H](c2nccs2)C2CC2)c1Cl
InChIInChI=1S/C11H12ClN5S/c12-7-9(13)15-5-16-10(7)17-8(6-1-2-6)11-14-3-4-18-11/h3-6,8H,1-2H2,(H3,13,15,16,17)/t8-/m0/s1
InChIKeyZVLIABITAPSCLU-QMMMGPOBSA-N
MW281.77 g/mol
LogP2.73
Rot. Bonds4

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

5-chloro-4-N-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]pyrimidine-4,6-diamine (PubChem CID 100649053) has the molecular formula C11H12ClN5S and a molecular weight of 281.77 g/mol. Its IUPAC name is 5-chloro-4-N-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-chloro-4-N-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]pyrimidine-4,6-diamine
PubChem CID100649053
Molecular FormulaC11H12ClN5S
Molecular Weight281.77 g/mol
Exact Mass281.05
IUPAC Name5-chloro-4-N-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]pyrimidine-4,6-diamine
SMILESNc1ncnc(N[C@H](c2nccs2)C2CC2)c1Cl
InChIInChI=1S/C11H12ClN5S/c12-7-9(13)15-5-16-10(7)17-8(6-1-2-6)11-14-3-4-18-11/h3-6,8H,1-2H2,(H3,13,15,16,17)/t8-/m0/s1
InChIKeyZVLIABITAPSCLU-QMMMGPOBSA-N
XLogP2.73
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.77
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-2-N-(3-methylbutan-2-yl)-4-N-(1,3-thiazol-2-yl)pyrimidine-2,4-diamine
CID 49830728
6-chloro-5-fluoro-2-(methylthio)-N-(1,3-thiazol-2-ylmethyl)-4-pyrimidinamine
CID 86637013
6-chloro-N-(4,4-difluorocyclohexyl)-2-(1,3-thiazol-2-yl)pyrimidin-4-amine
CID 139300416
5-fluoro-N~4~,N~4~-dimethyl-N~2~-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine
CID 72940191
2-chloro-5-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
CID 79075576
2-chloro-5-fluoro-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidin-4-amine
CID 79075696
2-chloro-5-fluoro-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
CID 79075800
2-chloro-5-fluoro-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine
CID 79081655
5-fluoro-4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-2,4-diamine
CID 80837710
5-fluoro-2-N-methyl-4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-2,4-diamine
CID 80843646
5-fluoro-2-N-propyl-4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-2,4-diamine
CID 80843752
2-N-ethyl-5-fluoro-4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-2,4-diamine
CID 80843754

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]pyrimidine-4,6-diamine?
The IUPAC name of 5-chloro-4-N-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]pyrimidine-4,6-diamine (CID 100649053) is 5-chloro-4-N-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 5-chloro-4-N-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 5-chloro-4-N-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]pyrimidine-4,6-diamine is Nc1ncnc(N[C@H](c2nccs2)C2CC2)c1Cl.
What is the InChIKey of 5-chloro-4-N-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]pyrimidine-4,6-diamine?
The InChIKey is ZVLIABITAPSCLU-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H12ClN5S/c12-7-9(13)15-5-16-10(7)17-8(6-1-2-6)11-14-3-4-18-11/h3-6,8H,1-2H2,(H3,13,15,16,17)/t8-/m0/s1.
What are the key properties of 5-chloro-4-N-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]pyrimidine-4,6-diamine?
5-chloro-4-N-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]pyrimidine-4,6-diamine has a molecular weight of 281.77 g/mol, XLogP of 2.73, 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-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 100649053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).