3-amino-N-[2-(carbamoylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]-N-methylpropanamide

C9H16N6O3 — CID 10729747

IUPAC3-amino-N-[2-(carbamoylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]-N-methylpropanamide
SMILESCN(C(=O)CCN)C1CN=C(NC(N)=O)NC1=O
InChIInChI=1S/C9H16N6O3/c1-15(6(16)2-3-10)5-4-12-9(13-7(5)17)14-8(11)18/h5H,2-4,10H2,1H3,(H4,11,12,13,14,17,18)
InChIKeyUBMOCGRIIJPCTE-UHFFFAOYSA-N
MW256.27 g/mol
LogP-2.68
Rot. Bonds3

About 3-amino-N-[2-(carbamoylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]-N-methylpropanamide

3-amino-N-[2-(carbamoylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]-N-methylpropanamide (PubChem CID 10729747) has the molecular formula C9H16N6O3 and a molecular weight of 256.27 g/mol. Its IUPAC name is 3-amino-N-[2-(carbamoylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]-N-methylpropanamide.

Molecular Properties

Compound Name3-amino-N-[2-(carbamoylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]-N-methylpropanamide
PubChem CID10729747
Molecular FormulaC9H16N6O3
Molecular Weight256.27 g/mol
Exact Mass256.13
IUPAC Name3-amino-N-[2-(carbamoylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]-N-methylpropanamide
SMILESCN(C(=O)CCN)C1CN=C(NC(N)=O)NC1=O
InChIInChI=1S/C9H16N6O3/c1-15(6(16)2-3-10)5-4-12-9(13-7(5)17)14-8(11)18/h5H,2-4,10H2,1H3,(H4,11,12,13,14,17,18)
InChIKeyUBMOCGRIIJPCTE-UHFFFAOYSA-N
XLogP-2.68
TPSA142.91 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 5-2.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-(2-acetamido-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl)-3-amino-6-(diaminomethylideneamino)-N-methylhexanamide
CID 10316111
(3S)-3-amino-N-[2-(carbamoylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]-N-methyl-6-[(N'-methylcarbamimidoyl)amino]hexanamide
CID 10893949
(3S)-3-amino-N-[2-(carbamoylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]-6-(diaminomethylideneamino)-N-methylhexanamide
CID 10970304
1-butyl-3-propyl-5,7-dihydro-4H-purine-2,6-dione
CID 44339609
(3S)-3-amino-N-[2-(carbamoylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]-N-methyl-6-[(N'-methylcarbamimidoyl)amino]hexanamide;dihydrochloride
CID 45260842
Tan 1057B
CID 124498
Tan-1057A
CID 3035519
(3S)-3-amino-6-[carbamimidoyl(methyl)amino]-N-[2-(carbamoylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]-N-methylhexanamide
CID 9951213
(3S)-3-amino-N-[2-(carbamoylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]-N-methyl-6-[methyl-(N'-methylcarbamimidoyl)amino]hexanamide;dihydrochloride
CID 45262096
(3S)-3-amino-N-[2-(carbamoylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]-6-(diaminomethylideneamino)-N-methylhexanamide;dihydrochloride
CID 45264621
(3S)-3,6-diamino-N-[2-(carbamoylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]-N-methylhexanamide
CID 9883281
(3R)-3,6-diamino-N-[2-(carbamoylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]-N-methylhexanamide;dihydrochloride
CID 9886455

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(carbamoylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]-N-methylpropanamide?
The IUPAC name of 3-amino-N-[2-(carbamoylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]-N-methylpropanamide (CID 10729747) is 3-amino-N-[2-(carbamoylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]-N-methylpropanamide.
What is the SMILES notation for 3-amino-N-[2-(carbamoylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]-N-methylpropanamide?
The canonical SMILES for 3-amino-N-[2-(carbamoylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]-N-methylpropanamide is CN(C(=O)CCN)C1CN=C(NC(N)=O)NC1=O.
What is the InChIKey of 3-amino-N-[2-(carbamoylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]-N-methylpropanamide?
The InChIKey is UBMOCGRIIJPCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N6O3/c1-15(6(16)2-3-10)5-4-12-9(13-7(5)17)14-8(11)18/h5H,2-4,10H2,1H3,(H4,11,12,13,14,17,18).
What are the key properties of 3-amino-N-[2-(carbamoylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]-N-methylpropanamide?
3-amino-N-[2-(carbamoylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]-N-methylpropanamide has a molecular weight of 256.27 g/mol, XLogP of -2.68, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(carbamoylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]-N-methylpropanamide is sourced from PubChem (CID 10729747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).