(1-methoxy-3-pyrimidin-5-ylpropan-2-yl) carbamate

C9H13N3O3 — CID 118368518

IUPAC(1-methoxy-3-pyrimidin-5-ylpropan-2-yl) carbamate
SMILESCOCC(Cc1cncnc1)OC(N)=O
InChIInChI=1S/C9H13N3O3/c1-14-5-8(15-9(10)13)2-7-3-11-6-12-4-7/h3-4,6,8H,2,5H2,1H3,(H2,10,13)
InChIKeyULDKHAZUKCALKV-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.13
Rot. Bonds5

About (1-methoxy-3-pyrimidin-5-ylpropan-2-yl) carbamate

(1-methoxy-3-pyrimidin-5-ylpropan-2-yl) carbamate (PubChem CID 118368518) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is (1-methoxy-3-pyrimidin-5-ylpropan-2-yl) carbamate.

Molecular Properties

Compound Name(1-methoxy-3-pyrimidin-5-ylpropan-2-yl) carbamate
PubChem CID118368518
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name(1-methoxy-3-pyrimidin-5-ylpropan-2-yl) carbamate
SMILESCOCC(Cc1cncnc1)OC(N)=O
InChIInChI=1S/C9H13N3O3/c1-14-5-8(15-9(10)13)2-7-3-11-6-12-4-7/h3-4,6,8H,2,5H2,1H3,(H2,10,13)
InChIKeyULDKHAZUKCALKV-UHFFFAOYSA-N
XLogP0.13
TPSA87.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-methoxy-3-pyrimidin-5-ylpropan-2-yl) carbamate?
The IUPAC name of (1-methoxy-3-pyrimidin-5-ylpropan-2-yl) carbamate (CID 118368518) is (1-methoxy-3-pyrimidin-5-ylpropan-2-yl) carbamate.
What is the SMILES notation for (1-methoxy-3-pyrimidin-5-ylpropan-2-yl) carbamate?
The canonical SMILES for (1-methoxy-3-pyrimidin-5-ylpropan-2-yl) carbamate is COCC(Cc1cncnc1)OC(N)=O.
What is the InChIKey of (1-methoxy-3-pyrimidin-5-ylpropan-2-yl) carbamate?
The InChIKey is ULDKHAZUKCALKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-14-5-8(15-9(10)13)2-7-3-11-6-12-4-7/h3-4,6,8H,2,5H2,1H3,(H2,10,13).
What are the key properties of (1-methoxy-3-pyrimidin-5-ylpropan-2-yl) carbamate?
(1-methoxy-3-pyrimidin-5-ylpropan-2-yl) carbamate has a molecular weight of 211.22 g/mol, XLogP of 0.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxy-3-pyrimidin-5-ylpropan-2-yl) carbamate is sourced from PubChem (CID 118368518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).