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

C9H13N3O3 — CID 118368520

IUPAC(1-methoxy-1-pyrimidin-5-ylpropan-2-yl) carbamate
SMILESCOC(c1cncnc1)C(C)OC(N)=O
InChIInChI=1S/C9H13N3O3/c1-6(15-9(10)13)8(14-2)7-3-11-5-12-4-7/h3-6,8H,1-2H3,(H2,10,13)
InChIKeyPNVUEEJWXGRQMM-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.65
Rot. Bonds4

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

(1-methoxy-1-pyrimidin-5-ylpropan-2-yl) carbamate (PubChem CID 118368520) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is (1-methoxy-1-pyrimidin-5-ylpropan-2-yl) carbamate.

Molecular Properties

Compound Name(1-methoxy-1-pyrimidin-5-ylpropan-2-yl) carbamate
PubChem CID118368520
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name(1-methoxy-1-pyrimidin-5-ylpropan-2-yl) carbamate
SMILESCOC(c1cncnc1)C(C)OC(N)=O
InChIInChI=1S/C9H13N3O3/c1-6(15-9(10)13)8(14-2)7-3-11-5-12-4-7/h3-6,8H,1-2H3,(H2,10,13)
InChIKeyPNVUEEJWXGRQMM-UHFFFAOYSA-N
XLogP0.65
TPSA87.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1-Ethoxy-2-methylpropyl)-2-fluoropyrimidine
CID 177332351
tert-butyl N-[5-(3,3,3-trifluoro-2-hydroxypropyl)pyrimidin-2-yl]carbamate
CID 165689081
tert-butyl N-[4-(2-fluoropyrimidin-5-yl)-3,4-dihydroxybutyl]carbamate
CID 171884281
5-(1-Ethoxypropyl)-2-fluoropyrimidine
CID 177331830
5-(2-Isopropyloxiran-2-yl)pyrimidine
CID 58149520
5-(2-Tert-butyloxiran-2-yl)pyrimidine
CID 58149524
(4S,5R)-4-methyl-5-pyrimidin-5-yl-1,3-oxazolidin-2-one
CID 68076198
1-Pyrimidin-5-ylethyl carbamate
CID 69192211
2-Pyrimidin-5-ylethyl carbamate
CID 69192212
(1-Hydroxy-3-pyrimidin-5-ylpropan-2-yl) carbamate
CID 118368480
(1-Hydroxy-1-pyrimidin-5-ylpropan-2-yl) carbamate
CID 118368482
(1-Methoxy-3-pyrimidin-5-ylpropan-2-yl) carbamate
CID 118368518

Frequently Asked Questions

What is the IUPAC name of (1-methoxy-1-pyrimidin-5-ylpropan-2-yl) carbamate?
The IUPAC name of (1-methoxy-1-pyrimidin-5-ylpropan-2-yl) carbamate (CID 118368520) is (1-methoxy-1-pyrimidin-5-ylpropan-2-yl) carbamate.
What is the SMILES notation for (1-methoxy-1-pyrimidin-5-ylpropan-2-yl) carbamate?
The canonical SMILES for (1-methoxy-1-pyrimidin-5-ylpropan-2-yl) carbamate is COC(c1cncnc1)C(C)OC(N)=O.
What is the InChIKey of (1-methoxy-1-pyrimidin-5-ylpropan-2-yl) carbamate?
The InChIKey is PNVUEEJWXGRQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-6(15-9(10)13)8(14-2)7-3-11-5-12-4-7/h3-6,8H,1-2H3,(H2,10,13).
What are the key properties of (1-methoxy-1-pyrimidin-5-ylpropan-2-yl) carbamate?
(1-methoxy-1-pyrimidin-5-ylpropan-2-yl) carbamate has a molecular weight of 211.22 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxy-1-pyrimidin-5-ylpropan-2-yl) carbamate is sourced from PubChem (CID 118368520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).