5-chloro-N-[1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazol-4-yl]pyrimidin-2-amine

C15H21ClN6O — CID 166452175

IUPAC5-chloro-N-[1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazol-4-yl]pyrimidin-2-amine
SMILESCOCCN1CCC(n2cc(Nc3ncc(Cl)cn3)cn2)CC1
InChIInChI=1S/C15H21ClN6O/c1-23-7-6-21-4-2-14(3-5-21)22-11-13(10-19-22)20-15-17-8-12(16)9-18-15/h8-11,14H,2-7H2,1H3,(H,17,18,20)
InChIKeyXFJPQZOBHQISIQ-UHFFFAOYSA-N
MW336.83 g/mol
LogP2.35
Rot. Bonds6

About 5-chloro-N-[1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazol-4-yl]pyrimidin-2-amine

5-chloro-N-[1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazol-4-yl]pyrimidin-2-amine (PubChem CID 166452175) has the molecular formula C15H21ClN6O and a molecular weight of 336.83 g/mol. Its IUPAC name is 5-chloro-N-[1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazol-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-[1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazol-4-yl]pyrimidin-2-amine
PubChem CID166452175
Molecular FormulaC15H21ClN6O
Molecular Weight336.83 g/mol
Exact Mass336.15
IUPAC Name5-chloro-N-[1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazol-4-yl]pyrimidin-2-amine
SMILESCOCCN1CCC(n2cc(Nc3ncc(Cl)cn3)cn2)CC1
InChIInChI=1S/C15H21ClN6O/c1-23-7-6-21-4-2-14(3-5-21)22-11-13(10-19-22)20-15-17-8-12(16)9-18-15/h8-11,14H,2-7H2,1H3,(H,17,18,20)
InChIKeyXFJPQZOBHQISIQ-UHFFFAOYSA-N
XLogP2.35
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.83
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Gne-9605
CID 76328936
7-[4-[(5-chloro-4-morpholin-4-ylpyrimidin-2-yl)amino]pyrazol-1-yl]-N-hydroxyheptanamide
CID 141728811
US9932325, Example 28
CID 132244618
N2-(5-chloro-1-(3-fluoro-1-(oxetan-3-yl)piperidin-4-yl)-1H-pyrazol-4-yl)-N4-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69281791
5-fluoro-N-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]pyrimidin-2-amine
CID 121560827
4-N-methyl-2-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69281524
2-N-[5-chloro-1-[3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-yl]-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69281626
2-N-[5-chloro-1-[(3S,4R)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 124585571
2-N-[5-chloro-1-[(3R)-4,4-difluoro-1-(oxetan-3-yl)piperidin-3-yl]pyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 132244746
2-N-[5-chloro-1-[(3S)-4,4-difluoro-1-(oxetan-3-yl)piperidin-3-yl]pyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 132244752
4-N-ethyl-2-N-[1-[3-methyl-1-(oxetan-3-yl)piperidin-3-yl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 134263397
2-N-(5-chloro-1-methylpyrazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine;4,4-difluoro-1-(oxetan-3-yl)piperidine
CID 145419842

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazol-4-yl]pyrimidin-2-amine?
The IUPAC name of 5-chloro-N-[1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazol-4-yl]pyrimidin-2-amine (CID 166452175) is 5-chloro-N-[1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazol-4-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-[1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazol-4-yl]pyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-[1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazol-4-yl]pyrimidin-2-amine is COCCN1CCC(n2cc(Nc3ncc(Cl)cn3)cn2)CC1.
What is the InChIKey of 5-chloro-N-[1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazol-4-yl]pyrimidin-2-amine?
The InChIKey is XFJPQZOBHQISIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN6O/c1-23-7-6-21-4-2-14(3-5-21)22-11-13(10-19-22)20-15-17-8-12(16)9-18-15/h8-11,14H,2-7H2,1H3,(H,17,18,20).
What are the key properties of 5-chloro-N-[1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazol-4-yl]pyrimidin-2-amine?
5-chloro-N-[1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazol-4-yl]pyrimidin-2-amine has a molecular weight of 336.83 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-[1-(2-methoxyethyl)piperidin-4-yl]pyrazol-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 166452175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).