2-[4-chloro-6-(1-methylpyrazol-4-yl)pyrimidin-2-yl]-N,N-diethylethanamine

C14H20ClN5 — CID 106715360

IUPAC2-[4-chloro-6-(1-methylpyrazol-4-yl)pyrimidin-2-yl]-N,N-diethylethanamine
SMILESCCN(CC)CCc1nc(Cl)cc(-c2cnn(C)c2)n1
InChIInChI=1S/C14H20ClN5/c1-4-20(5-2)7-6-14-17-12(8-13(15)18-14)11-9-16-19(3)10-11/h8-10H,4-7H2,1-3H3
InChIKeyMZZJUWFQRNDZHU-UHFFFAOYSA-N
MW293.80 g/mol
LogP2.41
Rot. Bonds6

About 2-[4-chloro-6-(1-methylpyrazol-4-yl)pyrimidin-2-yl]-N,N-diethylethanamine

2-[4-chloro-6-(1-methylpyrazol-4-yl)pyrimidin-2-yl]-N,N-diethylethanamine (PubChem CID 106715360) has the molecular formula C14H20ClN5 and a molecular weight of 293.80 g/mol. Its IUPAC name is 2-[4-chloro-6-(1-methylpyrazol-4-yl)pyrimidin-2-yl]-N,N-diethylethanamine.

Molecular Properties

Compound Name2-[4-chloro-6-(1-methylpyrazol-4-yl)pyrimidin-2-yl]-N,N-diethylethanamine
PubChem CID106715360
Molecular FormulaC14H20ClN5
Molecular Weight293.80 g/mol
Exact Mass293.14
IUPAC Name2-[4-chloro-6-(1-methylpyrazol-4-yl)pyrimidin-2-yl]-N,N-diethylethanamine
SMILESCCN(CC)CCc1nc(Cl)cc(-c2cnn(C)c2)n1
InChIInChI=1S/C14H20ClN5/c1-4-20(5-2)7-6-14-17-12(8-13(15)18-14)11-9-16-19(3)10-11/h8-10H,4-7H2,1-3H3
InChIKeyMZZJUWFQRNDZHU-UHFFFAOYSA-N
XLogP2.41
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-6-(1-methylpyrazol-4-yl)-2-propylpyrimidine
CID 80945558
4-chloro-2-[(4-chlorophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrimidine
CID 106715271
4-chloro-6-(1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxymethyl)pyrimidine
CID 106715359
4-chloro-2-(cyclopentylsulfanylmethyl)-6-(1-methylpyrazol-4-yl)pyrimidine
CID 106715370
N-ethyl-6-(1-methylpyrazol-4-yl)-2-propylpyrimidin-4-amine
CID 80945798
4-chloro-2-(2-methylcyclopropyl)-6-(1-methylpyrazol-4-yl)pyrimidine
CID 106715389
4-chloro-2-(2,2-dimethylcyclopropyl)-6-(1-methylpyrazol-4-yl)pyrimidine
CID 107925460
4-chloro-2-(2-ethylphenyl)-6-(1-methylpyrazol-4-yl)pyrimidine
CID 106715433
(4S)-1-[2-chloro-6-(1-methylpyrazol-4-yl)-4-pyridinyl]-4-(diethylamino)pentan-1-one
CID 160736908
1-[4-chloro-6-(1-methylpyrazol-4-yl)pyrimidin-2-yl]azepane
CID 106715363
4-chloro-2-(4-fluorophenyl)-6-(1-methylpyrazol-4-yl)pyrimidine
CID 106715379
2-butyl-N-methyl-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 106715837

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-6-(1-methylpyrazol-4-yl)pyrimidin-2-yl]-N,N-diethylethanamine?
The IUPAC name of 2-[4-chloro-6-(1-methylpyrazol-4-yl)pyrimidin-2-yl]-N,N-diethylethanamine (CID 106715360) is 2-[4-chloro-6-(1-methylpyrazol-4-yl)pyrimidin-2-yl]-N,N-diethylethanamine.
What is the SMILES notation for 2-[4-chloro-6-(1-methylpyrazol-4-yl)pyrimidin-2-yl]-N,N-diethylethanamine?
The canonical SMILES for 2-[4-chloro-6-(1-methylpyrazol-4-yl)pyrimidin-2-yl]-N,N-diethylethanamine is CCN(CC)CCc1nc(Cl)cc(-c2cnn(C)c2)n1.
What is the InChIKey of 2-[4-chloro-6-(1-methylpyrazol-4-yl)pyrimidin-2-yl]-N,N-diethylethanamine?
The InChIKey is MZZJUWFQRNDZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN5/c1-4-20(5-2)7-6-14-17-12(8-13(15)18-14)11-9-16-19(3)10-11/h8-10H,4-7H2,1-3H3.
What are the key properties of 2-[4-chloro-6-(1-methylpyrazol-4-yl)pyrimidin-2-yl]-N,N-diethylethanamine?
2-[4-chloro-6-(1-methylpyrazol-4-yl)pyrimidin-2-yl]-N,N-diethylethanamine has a molecular weight of 293.80 g/mol, XLogP of 2.41, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-6-(1-methylpyrazol-4-yl)pyrimidin-2-yl]-N,N-diethylethanamine is sourced from PubChem (CID 106715360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).