N-(4-chlorophenyl)-6-[1-(oxan-2-yl)pyrazol-4-yl]pyrimidin-4-amine

C18H18ClN5O — CID 175998549

IUPACN-(4-chlorophenyl)-6-[1-(oxan-2-yl)pyrazol-4-yl]pyrimidin-4-amine
SMILESClc1ccc(Nc2cc(-c3cnn(C4CCCCO4)c3)ncn2)cc1
InChIInChI=1S/C18H18ClN5O/c19-14-4-6-15(7-5-14)23-17-9-16(20-12-21-17)13-10-22-24(11-13)18-3-1-2-8-25-18/h4-7,9-12,18H,1-3,8H2,(H,20,21,23)
InChIKeyAUDVSADRSSRNLD-UHFFFAOYSA-N
MW355.83 g/mol
LogP4.44
Rot. Bonds4

About N-(4-chlorophenyl)-6-[1-(oxan-2-yl)pyrazol-4-yl]pyrimidin-4-amine

N-(4-chlorophenyl)-6-[1-(oxan-2-yl)pyrazol-4-yl]pyrimidin-4-amine (PubChem CID 175998549) has the molecular formula C18H18ClN5O and a molecular weight of 355.83 g/mol. Its IUPAC name is N-(4-chlorophenyl)-6-[1-(oxan-2-yl)pyrazol-4-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-6-[1-(oxan-2-yl)pyrazol-4-yl]pyrimidin-4-amine
PubChem CID175998549
Molecular FormulaC18H18ClN5O
Molecular Weight355.83 g/mol
Exact Mass355.12
IUPAC NameN-(4-chlorophenyl)-6-[1-(oxan-2-yl)pyrazol-4-yl]pyrimidin-4-amine
SMILESClc1ccc(Nc2cc(-c3cnn(C4CCCCO4)c3)ncn2)cc1
InChIInChI=1S/C18H18ClN5O/c19-14-4-6-15(7-5-14)23-17-9-16(20-12-21-17)13-10-22-24(11-13)18-3-1-2-8-25-18/h4-7,9-12,18H,1-3,8H2,(H,20,21,23)
InChIKeyAUDVSADRSSRNLD-UHFFFAOYSA-N
XLogP4.44
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2,4-dichlorophenyl)-1-(oxan-2-yl)pyrazole
CID 122561537
4-chloro-1-[(2S)-oxan-2-yl]pyrazole
CID 124506510
4-[2,5-difluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]-1-(oxan-2-yl)pyrazole
CID 140928225
5-[1-[(2S)-oxan-2-yl]pyrazol-4-yl]pyrimidine
CID 126433846
3-chloro-5-[1-(oxan-2-yl)pyrazol-4-yl]benzonitrile
CID 172991022
5-[1-(oxan-2-yl)pyrazol-4-yl]pyridin-2-amine
CID 171770243
N-(4-chlorophenyl)-6-[1-[(3-fluoro-4-methoxyphenyl)methyl]pyrazol-4-yl]pyrimidin-4-amine
CID 175998555
4-[1-(oxan-2-yl)pyrazol-4-yl]phthalaldehyde
CID 162696460
N,N-dimethyl-5-[1-[(2S)-oxan-2-yl]pyrazol-4-yl]pyridin-2-amine
CID 126430312
N-cyclopentyl-4-[[6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide
CID 50783833
2-fluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]benzaldehyde
CID 176914480
5-[1-(oxan-2-yl)pyrazol-4-yl]-1H-pyrrolo[3,2-b]pyridine
CID 118676645

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-6-[1-(oxan-2-yl)pyrazol-4-yl]pyrimidin-4-amine?
The IUPAC name of N-(4-chlorophenyl)-6-[1-(oxan-2-yl)pyrazol-4-yl]pyrimidin-4-amine (CID 175998549) is N-(4-chlorophenyl)-6-[1-(oxan-2-yl)pyrazol-4-yl]pyrimidin-4-amine.
What is the SMILES notation for N-(4-chlorophenyl)-6-[1-(oxan-2-yl)pyrazol-4-yl]pyrimidin-4-amine?
The canonical SMILES for N-(4-chlorophenyl)-6-[1-(oxan-2-yl)pyrazol-4-yl]pyrimidin-4-amine is Clc1ccc(Nc2cc(-c3cnn(C4CCCCO4)c3)ncn2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-6-[1-(oxan-2-yl)pyrazol-4-yl]pyrimidin-4-amine?
The InChIKey is AUDVSADRSSRNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5O/c19-14-4-6-15(7-5-14)23-17-9-16(20-12-21-17)13-10-22-24(11-13)18-3-1-2-8-25-18/h4-7,9-12,18H,1-3,8H2,(H,20,21,23).
What are the key properties of N-(4-chlorophenyl)-6-[1-(oxan-2-yl)pyrazol-4-yl]pyrimidin-4-amine?
N-(4-chlorophenyl)-6-[1-(oxan-2-yl)pyrazol-4-yl]pyrimidin-4-amine has a molecular weight of 355.83 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-6-[1-(oxan-2-yl)pyrazol-4-yl]pyrimidin-4-amine is sourced from PubChem (CID 175998549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).