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

C11H15ClN6 — CID 78990644

IUPAC6-chloro-4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-2,4-diamine
SMILESCc1nn(C)c(C)c1CNc1cc(Cl)nc(N)n1
InChIInChI=1S/C11H15ClN6/c1-6-8(7(2)18(3)17-6)5-14-10-4-9(12)15-11(13)16-10/h4H,5H2,1-3H3,(H3,13,14,15,16)
InChIKeyZNVGGNQIGSTKMC-UHFFFAOYSA-N
MW266.74 g/mol
LogP1.67
Rot. Bonds3

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

6-chloro-4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 78990644) has the molecular formula C11H15ClN6 and a molecular weight of 266.74 g/mol. Its IUPAC name is 6-chloro-4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-2,4-diamine
PubChem CID78990644
Molecular FormulaC11H15ClN6
Molecular Weight266.74 g/mol
Exact Mass266.10
IUPAC Name6-chloro-4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-2,4-diamine
SMILESCc1nn(C)c(C)c1CNc1cc(Cl)nc(N)n1
InChIInChI=1S/C11H15ClN6/c1-6-8(7(2)18(3)17-6)5-14-10-4-9(12)15-11(13)16-10/h4H,5H2,1-3H3,(H3,13,14,15,16)
InChIKeyZNVGGNQIGSTKMC-UHFFFAOYSA-N
XLogP1.67
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.74
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-6-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidin-4-amine
CID 114562739
4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine
CID 80848172
5-chloro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidin-2-amine
CID 79556372
6-N-methyl-2-propan-2-yl-4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine
CID 80959085
3-chloro-6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyridine-2-carboxylic acid
CID 79241520
6-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methylpyrimidin-4-amine
CID 112671792
2-chloro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-4-amine
CID 80525912
2,6-dichloro-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]phenol
CID 107678888
2,5-dichloro-4-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline
CID 115755792
3,5-dichloro-4-fluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline
CID 103579798
2,5-dichloro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidin-4-amine
CID 79633437
2-amino-4-chloro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 79225523

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-2,4-diamine (CID 78990644) is 6-chloro-4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-2,4-diamine is Cc1nn(C)c(C)c1CNc1cc(Cl)nc(N)n1.
What is the InChIKey of 6-chloro-4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is ZNVGGNQIGSTKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN6/c1-6-8(7(2)18(3)17-6)5-14-10-4-9(12)15-11(13)16-10/h4H,5H2,1-3H3,(H3,13,14,15,16).
What are the key properties of 6-chloro-4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-2,4-diamine?
6-chloro-4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 266.74 g/mol, XLogP of 1.67, 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-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 78990644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).