6-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methylpyrimidin-4-amine

C11H14ClN5 — CID 112671792

IUPAC6-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methylpyrimidin-4-amine
SMILESCc1nc(Cl)cc(NCc2cn(C)nc2C)n1
InChIInChI=1S/C11H14ClN5/c1-7-9(6-17(3)16-7)5-13-11-4-10(12)14-8(2)15-11/h4,6H,5H2,1-3H3,(H,13,14,15)
InChIKeyYQSOMUIWOPWDRU-UHFFFAOYSA-N
MW251.72 g/mol
LogP2.09
Rot. Bonds3

About 6-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methylpyrimidin-4-amine

6-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methylpyrimidin-4-amine (PubChem CID 112671792) has the molecular formula C11H14ClN5 and a molecular weight of 251.72 g/mol. Its IUPAC name is 6-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methylpyrimidin-4-amine
PubChem CID112671792
Molecular FormulaC11H14ClN5
Molecular Weight251.72 g/mol
Exact Mass251.09
IUPAC Name6-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methylpyrimidin-4-amine
SMILESCc1nc(Cl)cc(NCc2cn(C)nc2C)n1
InChIInChI=1S/C11H14ClN5/c1-7-9(6-17(3)16-7)5-13-11-4-10(12)14-8(2)15-11/h4,6H,5H2,1-3H3,(H,13,14,15)
InChIKeyYQSOMUIWOPWDRU-UHFFFAOYSA-N
XLogP2.09
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-N,2-dimethylpyrimidine-4,6-diamine
CID 112672280
6-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylpyrimidin-4-amine
CID 112549981
4-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112672257
4-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-N,2-diethylpyrimidine-4,6-diamine
CID 115991901
4-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 115991895
4-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 115991902
6-chloro-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-amine
CID 82873713
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-amine;hydrochloride
CID 126963985
N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-hydrazinylpyridin-2-amine
CID 112672305
2-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-methylpyridin-3-amine
CID 114050786
3-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-fluoroaniline
CID 83085930
2-N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-methylpyridine-2,4-diamine
CID 112668322

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methylpyrimidin-4-amine (CID 112671792) is 6-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methylpyrimidin-4-amine is Cc1nc(Cl)cc(NCc2cn(C)nc2C)n1.
What is the InChIKey of 6-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methylpyrimidin-4-amine?
The InChIKey is YQSOMUIWOPWDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5/c1-7-9(6-17(3)16-7)5-13-11-4-10(12)14-8(2)15-11/h4,6H,5H2,1-3H3,(H,13,14,15).
What are the key properties of 6-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methylpyrimidin-4-amine?
6-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methylpyrimidin-4-amine has a molecular weight of 251.72 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 112671792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).