2-[(4-chlorophenoxy)methyl]-6-(methoxymethyl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine

C17H18ClN5O2 — CID 10309089

IUPAC2-[(4-chlorophenoxy)methyl]-6-(methoxymethyl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
SMILESCOCc1cc(Nc2cc(C)[nH]n2)nc(COc2ccc(Cl)cc2)n1
InChIInChI=1S/C17H18ClN5O2/c1-11-7-16(23-22-11)20-15-8-13(9-24-2)19-17(21-15)10-25-14-5-3-12(18)4-6-14/h3-8H,9-10H2,1-2H3,(H2,19,20,21,22,23)
InChIKeyTVCOFKJGUVJBMQ-UHFFFAOYSA-N
MW359.82 g/mol
LogP3.63
Rot. Bonds7

About 2-[(4-chlorophenoxy)methyl]-6-(methoxymethyl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine

2-[(4-chlorophenoxy)methyl]-6-(methoxymethyl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine (PubChem CID 10309089) has the molecular formula C17H18ClN5O2 and a molecular weight of 359.82 g/mol. Its IUPAC name is 2-[(4-chlorophenoxy)methyl]-6-(methoxymethyl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(4-chlorophenoxy)methyl]-6-(methoxymethyl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
PubChem CID10309089
Molecular FormulaC17H18ClN5O2
Molecular Weight359.82 g/mol
Exact Mass359.11
IUPAC Name2-[(4-chlorophenoxy)methyl]-6-(methoxymethyl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
SMILESCOCc1cc(Nc2cc(C)[nH]n2)nc(COc2ccc(Cl)cc2)n1
InChIInChI=1S/C17H18ClN5O2/c1-11-7-16(23-22-11)20-15-8-13(9-24-2)19-17(21-15)10-25-14-5-3-12(18)4-6-14/h3-8H,9-10H2,1-2H3,(H2,19,20,21,22,23)
InChIKeyTVCOFKJGUVJBMQ-UHFFFAOYSA-N
XLogP3.63
TPSA84.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.82
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenoxy)methyl]-6-(methoxymethyl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
The IUPAC name of 2-[(4-chlorophenoxy)methyl]-6-(methoxymethyl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine (CID 10309089) is 2-[(4-chlorophenoxy)methyl]-6-(methoxymethyl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-[(4-chlorophenoxy)methyl]-6-(methoxymethyl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
The canonical SMILES for 2-[(4-chlorophenoxy)methyl]-6-(methoxymethyl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine is COCc1cc(Nc2cc(C)[nH]n2)nc(COc2ccc(Cl)cc2)n1.
What is the InChIKey of 2-[(4-chlorophenoxy)methyl]-6-(methoxymethyl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
The InChIKey is TVCOFKJGUVJBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5O2/c1-11-7-16(23-22-11)20-15-8-13(9-24-2)19-17(21-15)10-25-14-5-3-12(18)4-6-14/h3-8H,9-10H2,1-2H3,(H2,19,20,21,22,23).
What are the key properties of 2-[(4-chlorophenoxy)methyl]-6-(methoxymethyl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
2-[(4-chlorophenoxy)methyl]-6-(methoxymethyl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine has a molecular weight of 359.82 g/mol, XLogP of 3.63, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenoxy)methyl]-6-(methoxymethyl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 10309089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).