N-[4-amino-2-(2,2-dimethylpropanoylamino)-6-oxo-1H-pyrimidin-5-yl]-2,2-dimethylpropanamide

C14H23N5O3 — CID 136648206

IUPACN-[4-amino-2-(2,2-dimethylpropanoylamino)-6-oxo-1H-pyrimidin-5-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1nc(N)c(NC(=O)C(C)(C)C)c(=O)[nH]1
InChIInChI=1S/C14H23N5O3/c1-13(2,3)10(21)16-7-8(15)17-12(18-9(7)20)19-11(22)14(4,5)6/h1-6H3,(H,16,21)(H4,15,17,18,19,20,22)
InChIKeyGMGXGKZTQDXBFO-UHFFFAOYSA-N
MW309.37 g/mol
LogP1.32
Rot. Bonds2

About N-[4-amino-2-(2,2-dimethylpropanoylamino)-6-oxo-1H-pyrimidin-5-yl]-2,2-dimethylpropanamide

N-[4-amino-2-(2,2-dimethylpropanoylamino)-6-oxo-1H-pyrimidin-5-yl]-2,2-dimethylpropanamide (PubChem CID 136648206) has the molecular formula C14H23N5O3 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[4-amino-2-(2,2-dimethylpropanoylamino)-6-oxo-1H-pyrimidin-5-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-amino-2-(2,2-dimethylpropanoylamino)-6-oxo-1H-pyrimidin-5-yl]-2,2-dimethylpropanamide
PubChem CID136648206
Molecular FormulaC14H23N5O3
Molecular Weight309.37 g/mol
Exact Mass309.18
IUPAC NameN-[4-amino-2-(2,2-dimethylpropanoylamino)-6-oxo-1H-pyrimidin-5-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1nc(N)c(NC(=O)C(C)(C)C)c(=O)[nH]1
InChIInChI=1S/C14H23N5O3/c1-13(2,3)10(21)16-7-8(15)17-12(18-9(7)20)19-11(22)14(4,5)6/h1-6H3,(H,16,21)(H4,15,17,18,19,20,22)
InChIKeyGMGXGKZTQDXBFO-UHFFFAOYSA-N
XLogP1.32
TPSA129.97 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

7,8-Dihydro-7,7-dimethyl-6-hydroxypterin
CID 135403820
2,2-dimethyl-N-(5,6,7-trimethyl-4-oxo-3,4,5,6,7,8-hexahydro-2-pteridinyl)propanamide
CID 135401451
2,6-Diamino-5-acetylamino-4-hydroxypyrimidine
CID 135789704
Pyrimidine, 2,4-diamino-6-hydroxy-5-propionamido-
CID 137243182
Pyrimidine, 2,4,5-trisacetamido-6-hydroxy-
CID 171383949
6-Amino-2,5-bis(pivaloylamino)pyrimidin-4(3H)-one dihydrate
CID 139076770
N-(4,5-diamino-6-oxo-1H-pyrimidin-2-yl)-2-methylpropanamide
CID 142610420
N-[4-amino-5-(methylamino)-6-oxo-1H-pyrimidin-2-yl]-2-methylpropanamide
CID 145259461
2-Amino-9-tert-butyl-1,7-dihydropurine-6,8-dione
CID 155214716
2-amino-7,9-dihydro-1H-purine-6,8-dione;ethane
CID 170585214
N-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 66759217
2,2-dimethyl-N-[(6S,7S)-5,6,7-trimethyl-4-oxo-3,6,7,8-tetrahydropteridin-2-yl]propanamide
CID 135707428

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-2-(2,2-dimethylpropanoylamino)-6-oxo-1H-pyrimidin-5-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-amino-2-(2,2-dimethylpropanoylamino)-6-oxo-1H-pyrimidin-5-yl]-2,2-dimethylpropanamide (CID 136648206) is N-[4-amino-2-(2,2-dimethylpropanoylamino)-6-oxo-1H-pyrimidin-5-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-amino-2-(2,2-dimethylpropanoylamino)-6-oxo-1H-pyrimidin-5-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-amino-2-(2,2-dimethylpropanoylamino)-6-oxo-1H-pyrimidin-5-yl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1nc(N)c(NC(=O)C(C)(C)C)c(=O)[nH]1.
What is the InChIKey of N-[4-amino-2-(2,2-dimethylpropanoylamino)-6-oxo-1H-pyrimidin-5-yl]-2,2-dimethylpropanamide?
The InChIKey is GMGXGKZTQDXBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O3/c1-13(2,3)10(21)16-7-8(15)17-12(18-9(7)20)19-11(22)14(4,5)6/h1-6H3,(H,16,21)(H4,15,17,18,19,20,22).
What are the key properties of N-[4-amino-2-(2,2-dimethylpropanoylamino)-6-oxo-1H-pyrimidin-5-yl]-2,2-dimethylpropanamide?
N-[4-amino-2-(2,2-dimethylpropanoylamino)-6-oxo-1H-pyrimidin-5-yl]-2,2-dimethylpropanamide has a molecular weight of 309.37 g/mol, XLogP of 1.32, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-2-(2,2-dimethylpropanoylamino)-6-oxo-1H-pyrimidin-5-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 136648206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).