methyl N-[[5-(cyclopropylmethyl)-6-ethoxy-2-pyridin-2-ylpyrimidin-4-yl]methyl]-N-ethylcarbamate

C20H26N4O3 — CID 73353550

IUPACmethyl N-[[5-(cyclopropylmethyl)-6-ethoxy-2-pyridin-2-ylpyrimidin-4-yl]methyl]-N-ethylcarbamate
SMILESCCOc1nc(-c2ccccn2)nc(CN(CC)C(=O)OC)c1CC1CC1
InChIInChI=1S/C20H26N4O3/c1-4-24(20(25)26-3)13-17-15(12-14-9-10-14)19(27-5-2)23-18(22-17)16-8-6-7-11-21-16/h6-8,11,14H,4-5,9-10,12-13H2,1-3H3
InChIKeyYTFFUXNDQVUCJO-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.48
Rot. Bonds8

About methyl N-[[5-(cyclopropylmethyl)-6-ethoxy-2-pyridin-2-ylpyrimidin-4-yl]methyl]-N-ethylcarbamate

methyl N-[[5-(cyclopropylmethyl)-6-ethoxy-2-pyridin-2-ylpyrimidin-4-yl]methyl]-N-ethylcarbamate (PubChem CID 73353550) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is methyl N-[[5-(cyclopropylmethyl)-6-ethoxy-2-pyridin-2-ylpyrimidin-4-yl]methyl]-N-ethylcarbamate.

Molecular Properties

Compound Namemethyl N-[[5-(cyclopropylmethyl)-6-ethoxy-2-pyridin-2-ylpyrimidin-4-yl]methyl]-N-ethylcarbamate
PubChem CID73353550
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Namemethyl N-[[5-(cyclopropylmethyl)-6-ethoxy-2-pyridin-2-ylpyrimidin-4-yl]methyl]-N-ethylcarbamate
SMILESCCOc1nc(-c2ccccn2)nc(CN(CC)C(=O)OC)c1CC1CC1
InChIInChI=1S/C20H26N4O3/c1-4-24(20(25)26-3)13-17-15(12-14-9-10-14)19(27-5-2)23-18(22-17)16-8-6-7-11-21-16/h6-8,11,14H,4-5,9-10,12-13H2,1-3H3
InChIKeyYTFFUXNDQVUCJO-UHFFFAOYSA-N
XLogP3.48
TPSA77.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl N-[[5-(cyclopropylmethyl)-6-ethoxy-2-pyridin-2-ylpyrimidin-4-yl]methyl]-N-ethylcarbamate?
The IUPAC name of methyl N-[[5-(cyclopropylmethyl)-6-ethoxy-2-pyridin-2-ylpyrimidin-4-yl]methyl]-N-ethylcarbamate (CID 73353550) is methyl N-[[5-(cyclopropylmethyl)-6-ethoxy-2-pyridin-2-ylpyrimidin-4-yl]methyl]-N-ethylcarbamate.
What is the SMILES notation for methyl N-[[5-(cyclopropylmethyl)-6-ethoxy-2-pyridin-2-ylpyrimidin-4-yl]methyl]-N-ethylcarbamate?
The canonical SMILES for methyl N-[[5-(cyclopropylmethyl)-6-ethoxy-2-pyridin-2-ylpyrimidin-4-yl]methyl]-N-ethylcarbamate is CCOc1nc(-c2ccccn2)nc(CN(CC)C(=O)OC)c1CC1CC1.
What is the InChIKey of methyl N-[[5-(cyclopropylmethyl)-6-ethoxy-2-pyridin-2-ylpyrimidin-4-yl]methyl]-N-ethylcarbamate?
The InChIKey is YTFFUXNDQVUCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-4-24(20(25)26-3)13-17-15(12-14-9-10-14)19(27-5-2)23-18(22-17)16-8-6-7-11-21-16/h6-8,11,14H,4-5,9-10,12-13H2,1-3H3.
What are the key properties of methyl N-[[5-(cyclopropylmethyl)-6-ethoxy-2-pyridin-2-ylpyrimidin-4-yl]methyl]-N-ethylcarbamate?
methyl N-[[5-(cyclopropylmethyl)-6-ethoxy-2-pyridin-2-ylpyrimidin-4-yl]methyl]-N-ethylcarbamate has a molecular weight of 370.45 g/mol, XLogP of 3.48, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[[5-(cyclopropylmethyl)-6-ethoxy-2-pyridin-2-ylpyrimidin-4-yl]methyl]-N-ethylcarbamate is sourced from PubChem (CID 73353550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).