[5-(cyclopropylmethyl)-6-(methoxymethyl)-2-pyridin-2-ylpyrimidin-4-yl] N,N-dimethylcarbamate

C18H22N4O3 — CID 2730749

IUPAC[5-(cyclopropylmethyl)-6-(methoxymethyl)-2-pyridin-2-ylpyrimidin-4-yl] N,N-dimethylcarbamate
SMILESCOCc1nc(-c2ccccn2)nc(OC(=O)N(C)C)c1CC1CC1
InChIInChI=1S/C18H22N4O3/c1-22(2)18(23)25-17-13(10-12-7-8-12)15(11-24-3)20-16(21-17)14-6-4-5-9-19-14/h4-6,9,12H,7-8,10-11H2,1-3H3
InChIKeyFIWKYNZDYKPYRA-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.70
Rot. Bonds6

About [5-(cyclopropylmethyl)-6-(methoxymethyl)-2-pyridin-2-ylpyrimidin-4-yl] N,N-dimethylcarbamate

[5-(cyclopropylmethyl)-6-(methoxymethyl)-2-pyridin-2-ylpyrimidin-4-yl] N,N-dimethylcarbamate (PubChem CID 2730749) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is [5-(cyclopropylmethyl)-6-(methoxymethyl)-2-pyridin-2-ylpyrimidin-4-yl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[5-(cyclopropylmethyl)-6-(methoxymethyl)-2-pyridin-2-ylpyrimidin-4-yl] N,N-dimethylcarbamate
PubChem CID2730749
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name[5-(cyclopropylmethyl)-6-(methoxymethyl)-2-pyridin-2-ylpyrimidin-4-yl] N,N-dimethylcarbamate
SMILESCOCc1nc(-c2ccccn2)nc(OC(=O)N(C)C)c1CC1CC1
InChIInChI=1S/C18H22N4O3/c1-22(2)18(23)25-17-13(10-12-7-8-12)15(11-24-3)20-16(21-17)14-6-4-5-9-19-14/h4-6,9,12H,7-8,10-11H2,1-3H3
InChIKeyFIWKYNZDYKPYRA-UHFFFAOYSA-N
XLogP2.70
TPSA77.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-(cyclopropylmethyl)-6-(methoxymethyl)-2-pyridin-2-ylpyrimidin-4-yl] N,N-dimethylcarbamate?
The IUPAC name of [5-(cyclopropylmethyl)-6-(methoxymethyl)-2-pyridin-2-ylpyrimidin-4-yl] N,N-dimethylcarbamate (CID 2730749) is [5-(cyclopropylmethyl)-6-(methoxymethyl)-2-pyridin-2-ylpyrimidin-4-yl] N,N-dimethylcarbamate.
What is the SMILES notation for [5-(cyclopropylmethyl)-6-(methoxymethyl)-2-pyridin-2-ylpyrimidin-4-yl] N,N-dimethylcarbamate?
The canonical SMILES for [5-(cyclopropylmethyl)-6-(methoxymethyl)-2-pyridin-2-ylpyrimidin-4-yl] N,N-dimethylcarbamate is COCc1nc(-c2ccccn2)nc(OC(=O)N(C)C)c1CC1CC1.
What is the InChIKey of [5-(cyclopropylmethyl)-6-(methoxymethyl)-2-pyridin-2-ylpyrimidin-4-yl] N,N-dimethylcarbamate?
The InChIKey is FIWKYNZDYKPYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-22(2)18(23)25-17-13(10-12-7-8-12)15(11-24-3)20-16(21-17)14-6-4-5-9-19-14/h4-6,9,12H,7-8,10-11H2,1-3H3.
What are the key properties of [5-(cyclopropylmethyl)-6-(methoxymethyl)-2-pyridin-2-ylpyrimidin-4-yl] N,N-dimethylcarbamate?
[5-(cyclopropylmethyl)-6-(methoxymethyl)-2-pyridin-2-ylpyrimidin-4-yl] N,N-dimethylcarbamate has a molecular weight of 342.40 g/mol, XLogP of 2.70, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(cyclopropylmethyl)-6-(methoxymethyl)-2-pyridin-2-ylpyrimidin-4-yl] N,N-dimethylcarbamate is sourced from PubChem (CID 2730749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).