6-chloro-N-(1H-pyrazol-5-yl)-2-(pyridin-4-ylmethoxy)pyrimidin-4-amine

C13H11ClN6O — CID 171350635

IUPAC6-chloro-N-(1H-pyrazol-5-yl)-2-(pyridin-4-ylmethoxy)pyrimidin-4-amine
SMILESClc1cc(Nc2ccn[nH]2)nc(OCc2ccncc2)n1
InChIInChI=1S/C13H11ClN6O/c14-10-7-12(18-11-3-6-16-20-11)19-13(17-10)21-8-9-1-4-15-5-2-9/h1-7H,8H2,(H2,16,17,18,19,20)
InChIKeyQYBDDQNVTLQBEG-UHFFFAOYSA-N
MW302.73 g/mol
LogP2.57
Rot. Bonds5

About 6-chloro-N-(1H-pyrazol-5-yl)-2-(pyridin-4-ylmethoxy)pyrimidin-4-amine

6-chloro-N-(1H-pyrazol-5-yl)-2-(pyridin-4-ylmethoxy)pyrimidin-4-amine (PubChem CID 171350635) has the molecular formula C13H11ClN6O and a molecular weight of 302.73 g/mol. Its IUPAC name is 6-chloro-N-(1H-pyrazol-5-yl)-2-(pyridin-4-ylmethoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(1H-pyrazol-5-yl)-2-(pyridin-4-ylmethoxy)pyrimidin-4-amine
PubChem CID171350635
Molecular FormulaC13H11ClN6O
Molecular Weight302.73 g/mol
Exact Mass302.07
IUPAC Name6-chloro-N-(1H-pyrazol-5-yl)-2-(pyridin-4-ylmethoxy)pyrimidin-4-amine
SMILESClc1cc(Nc2ccn[nH]2)nc(OCc2ccncc2)n1
InChIInChI=1S/C13H11ClN6O/c14-10-7-12(18-11-3-6-16-20-11)19-13(17-10)21-8-9-1-4-15-5-2-9/h1-7H,8H2,(H2,16,17,18,19,20)
InChIKeyQYBDDQNVTLQBEG-UHFFFAOYSA-N
XLogP2.57
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.73
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(1H-pyrazol-5-yl)-2-(pyridin-4-ylmethoxy)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(1H-pyrazol-5-yl)-2-(pyridin-4-ylmethoxy)pyrimidin-4-amine (CID 171350635) is 6-chloro-N-(1H-pyrazol-5-yl)-2-(pyridin-4-ylmethoxy)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(1H-pyrazol-5-yl)-2-(pyridin-4-ylmethoxy)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(1H-pyrazol-5-yl)-2-(pyridin-4-ylmethoxy)pyrimidin-4-amine is Clc1cc(Nc2ccn[nH]2)nc(OCc2ccncc2)n1.
What is the InChIKey of 6-chloro-N-(1H-pyrazol-5-yl)-2-(pyridin-4-ylmethoxy)pyrimidin-4-amine?
The InChIKey is QYBDDQNVTLQBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN6O/c14-10-7-12(18-11-3-6-16-20-11)19-13(17-10)21-8-9-1-4-15-5-2-9/h1-7H,8H2,(H2,16,17,18,19,20).
What are the key properties of 6-chloro-N-(1H-pyrazol-5-yl)-2-(pyridin-4-ylmethoxy)pyrimidin-4-amine?
6-chloro-N-(1H-pyrazol-5-yl)-2-(pyridin-4-ylmethoxy)pyrimidin-4-amine has a molecular weight of 302.73 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(1H-pyrazol-5-yl)-2-(pyridin-4-ylmethoxy)pyrimidin-4-amine is sourced from PubChem (CID 171350635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).