methyl N-[1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidin-3-yl]carbamate

C13H20N4O3 — CID 137009937

IUPACmethyl N-[1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidin-3-yl]carbamate
SMILESCOC(=O)NC1CCN(c2cc(=O)[nH]c(C(C)C)n2)C1
InChIInChI=1S/C13H20N4O3/c1-8(2)12-15-10(6-11(18)16-12)17-5-4-9(7-17)14-13(19)20-3/h6,8-9H,4-5,7H2,1-3H3,(H,14,19)(H,15,16,18)
InChIKeyMHVIWVSSBCEEDK-UHFFFAOYSA-N
MW280.33 g/mol
LogP0.83
Rot. Bonds3

About methyl N-[1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidin-3-yl]carbamate

methyl N-[1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidin-3-yl]carbamate (PubChem CID 137009937) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is methyl N-[1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidin-3-yl]carbamate
PubChem CID137009937
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Namemethyl N-[1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidin-3-yl]carbamate
SMILESCOC(=O)NC1CCN(c2cc(=O)[nH]c(C(C)C)n2)C1
InChIInChI=1S/C13H20N4O3/c1-8(2)12-15-10(6-11(18)16-12)17-5-4-9(7-17)14-13(19)20-3/h6,8-9H,4-5,7H2,1-3H3,(H,14,19)(H,15,16,18)
InChIKeyMHVIWVSSBCEEDK-UHFFFAOYSA-N
XLogP0.83
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(methylamino)pyrrolidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136978866
4-[3-(methoxymethyl)piperidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136822001
4-(3-methylpiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 137013272
2-propan-2-yl-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 137009792
(3S,4S)-4-methyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 136954404
4-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)morpholine-2-carboxylic acid
CID 137015781
2-[1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidin-3-yl]acetic acid
CID 136958773
tert-butyl N-[1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]carbamate
CID 137310018
4-(4-acetylpiperazin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 137008940
4-(4-methylazepan-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136989987
4-(3,5-dimethylpiperazin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136973398
methyl N-[1-[6-amino-4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]carbamate
CID 102719156

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidin-3-yl]carbamate?
The IUPAC name of methyl N-[1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidin-3-yl]carbamate (CID 137009937) is methyl N-[1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidin-3-yl]carbamate.
What is the SMILES notation for methyl N-[1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidin-3-yl]carbamate?
The canonical SMILES for methyl N-[1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidin-3-yl]carbamate is COC(=O)NC1CCN(c2cc(=O)[nH]c(C(C)C)n2)C1.
What is the InChIKey of methyl N-[1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidin-3-yl]carbamate?
The InChIKey is MHVIWVSSBCEEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-8(2)12-15-10(6-11(18)16-12)17-5-4-9(7-17)14-13(19)20-3/h6,8-9H,4-5,7H2,1-3H3,(H,14,19)(H,15,16,18).
What are the key properties of methyl N-[1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidin-3-yl]carbamate?
methyl N-[1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidin-3-yl]carbamate has a molecular weight of 280.33 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 137009937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).