3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2,2-dimethylpropanamide

C9H15N5O2 — CID 136843225

IUPAC3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2,2-dimethylpropanamide
SMILESCC(C)(CNc1nc[nH]c(=O)c1N)C(N)=O
InChIInChI=1S/C9H15N5O2/c1-9(2,8(11)16)3-12-6-5(10)7(15)14-4-13-6/h4H,3,10H2,1-2H3,(H2,11,16)(H2,12,13,14,15)
InChIKeyMFJDOAHNJHJFDR-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.72
Rot. Bonds4

About 3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2,2-dimethylpropanamide

3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2,2-dimethylpropanamide (PubChem CID 136843225) has the molecular formula C9H15N5O2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2,2-dimethylpropanamide
PubChem CID136843225
Molecular FormulaC9H15N5O2
Molecular Weight225.25 g/mol
Exact Mass225.12
IUPAC Name3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2,2-dimethylpropanamide
SMILESCC(C)(CNc1nc[nH]c(=O)c1N)C(N)=O
InChIInChI=1S/C9H15N5O2/c1-9(2,8(11)16)3-12-6-5(10)7(15)14-4-13-6/h4H,3,10H2,1-2H3,(H2,11,16)(H2,12,13,14,15)
InChIKeyMFJDOAHNJHJFDR-UHFFFAOYSA-N
XLogP-0.72
TPSA126.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

5-Amino-6-(ethylamino)-4(3h)-pyrimidinone
CID 135786481
5-amino-4-(2-methylpropylamino)-1H-pyrimidin-6-one
CID 136973510
5-amino-4-[butyl(methyl)amino]-1H-pyrimidin-6-one
CID 135568285
5-amino-4-[bis(2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 135568292
5-amino-4-(butan-2-ylamino)-1H-pyrimidin-6-one
CID 135575730
5-amino-4-(tert-butylamino)-1H-pyrimidin-6-one
CID 135709694
5-amino-4-(butylamino)-1H-pyrimidin-6-one
CID 135786480
5-amino-4-(propylamino)-1H-pyrimidin-6-one
CID 135786482
5-amino-4-(diethylamino)-1H-pyrimidin-6-one
CID 135786486
3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide
CID 136671886
5-amino-4-[3-(dimethylamino)propyl-ethylamino]-1H-pyrimidin-6-one
CID 136752200
5-amino-4-[3-(diethylamino)propyl-ethylamino]-1H-pyrimidin-6-one
CID 136752206

Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2,2-dimethylpropanamide?
The IUPAC name of 3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2,2-dimethylpropanamide (CID 136843225) is 3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2,2-dimethylpropanamide is CC(C)(CNc1nc[nH]c(=O)c1N)C(N)=O.
What is the InChIKey of 3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2,2-dimethylpropanamide?
The InChIKey is MFJDOAHNJHJFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2/c1-9(2,8(11)16)3-12-6-5(10)7(15)14-4-13-6/h4H,3,10H2,1-2H3,(H2,11,16)(H2,12,13,14,15).
What are the key properties of 3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2,2-dimethylpropanamide?
3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2,2-dimethylpropanamide has a molecular weight of 225.25 g/mol, XLogP of -0.72, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2,2-dimethylpropanamide is sourced from PubChem (CID 136843225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).