4-chloro-6-[4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyrimidin-2-amine

C19H21ClN6O — CID 3596967

IUPAC4-chloro-6-[4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyrimidin-2-amine
SMILESCOc1ccc(-c2cc(C3CCN(c4cc(Cl)nc(N)n4)CC3)[nH]n2)cc1
InChIInChI=1S/C19H21ClN6O/c1-27-14-4-2-12(3-5-14)15-10-16(25-24-15)13-6-8-26(9-7-13)18-11-17(20)22-19(21)23-18/h2-5,10-11,13H,6-9H2,1H3,(H,24,25)(H2,21,22,23)
InChIKeyBSXBIRZDBXZHTE-UHFFFAOYSA-N
MW384.87 g/mol
LogP3.49
Rot. Bonds4

About 4-chloro-6-[4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyrimidin-2-amine

4-chloro-6-[4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyrimidin-2-amine (PubChem CID 3596967) has the molecular formula C19H21ClN6O and a molecular weight of 384.87 g/mol. Its IUPAC name is 4-chloro-6-[4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-[4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyrimidin-2-amine
PubChem CID3596967
Molecular FormulaC19H21ClN6O
Molecular Weight384.87 g/mol
Exact Mass384.15
IUPAC Name4-chloro-6-[4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyrimidin-2-amine
SMILESCOc1ccc(-c2cc(C3CCN(c4cc(Cl)nc(N)n4)CC3)[nH]n2)cc1
InChIInChI=1S/C19H21ClN6O/c1-27-14-4-2-12(3-5-14)15-10-16(25-24-15)13-6-8-26(9-7-13)18-11-17(20)22-19(21)23-18/h2-5,10-11,13H,6-9H2,1H3,(H,24,25)(H2,21,22,23)
InChIKeyBSXBIRZDBXZHTE-UHFFFAOYSA-N
XLogP3.49
TPSA92.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.87
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-[4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyrimidin-2-amine (CID 3596967) is 4-chloro-6-[4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-[4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-[4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyrimidin-2-amine is COc1ccc(-c2cc(C3CCN(c4cc(Cl)nc(N)n4)CC3)[nH]n2)cc1.
What is the InChIKey of 4-chloro-6-[4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyrimidin-2-amine?
The InChIKey is BSXBIRZDBXZHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN6O/c1-27-14-4-2-12(3-5-14)15-10-16(25-24-15)13-6-8-26(9-7-13)18-11-17(20)22-19(21)23-18/h2-5,10-11,13H,6-9H2,1H3,(H,24,25)(H2,21,22,23).
What are the key properties of 4-chloro-6-[4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyrimidin-2-amine?
4-chloro-6-[4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyrimidin-2-amine has a molecular weight of 384.87 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 3596967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).