6-(methoxymethyl)-N-propyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine

C15H23N5O — CID 62320614

IUPAC6-(methoxymethyl)-N-propyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine
SMILESCCCNc1cc(COC)nc(-c2c(C)nn(C)c2C)n1
InChIInChI=1S/C15H23N5O/c1-6-7-16-13-8-12(9-21-5)17-15(18-13)14-10(2)19-20(4)11(14)3/h8H,6-7,9H2,1-5H3,(H,16,17,18)
InChIKeyPMPLTYGYXWIDKE-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.46
Rot. Bonds6

About 6-(methoxymethyl)-N-propyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine

6-(methoxymethyl)-N-propyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine (PubChem CID 62320614) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 6-(methoxymethyl)-N-propyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(methoxymethyl)-N-propyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine
PubChem CID62320614
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name6-(methoxymethyl)-N-propyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine
SMILESCCCNc1cc(COC)nc(-c2c(C)nn(C)c2C)n1
InChIInChI=1S/C15H23N5O/c1-6-7-16-13-8-12(9-21-5)17-15(18-13)14-10(2)19-20(4)11(14)3/h8H,6-7,9H2,1-5H3,(H,16,17,18)
InChIKeyPMPLTYGYXWIDKE-UHFFFAOYSA-N
XLogP2.46
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethyl)-N-propyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine?
The IUPAC name of 6-(methoxymethyl)-N-propyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine (CID 62320614) is 6-(methoxymethyl)-N-propyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-(methoxymethyl)-N-propyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine?
The canonical SMILES for 6-(methoxymethyl)-N-propyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine is CCCNc1cc(COC)nc(-c2c(C)nn(C)c2C)n1.
What is the InChIKey of 6-(methoxymethyl)-N-propyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine?
The InChIKey is PMPLTYGYXWIDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-6-7-16-13-8-12(9-21-5)17-15(18-13)14-10(2)19-20(4)11(14)3/h8H,6-7,9H2,1-5H3,(H,16,17,18).
What are the key properties of 6-(methoxymethyl)-N-propyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine?
6-(methoxymethyl)-N-propyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine has a molecular weight of 289.38 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethyl)-N-propyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 62320614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).