5-amino-4-(tert-butylamino)-1H-pyrimidin-6-one

C8H14N4O — CID 135709694

IUPAC5-amino-4-(tert-butylamino)-1H-pyrimidin-6-one
SMILESCC(C)(C)Nc1nc[nH]c(=O)c1N
InChIInChI=1S/C8H14N4O/c1-8(2,3)12-6-5(9)7(13)11-4-10-6/h4H,9H2,1-3H3,(H2,10,11,12,13)
InChIKeyGDSUMSQDXNULGB-UHFFFAOYSA-N
MW182.23 g/mol
LogP0.56
Rot. Bonds1

About 5-amino-4-(tert-butylamino)-1H-pyrimidin-6-one

5-amino-4-(tert-butylamino)-1H-pyrimidin-6-one (PubChem CID 135709694) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 5-amino-4-(tert-butylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(tert-butylamino)-1H-pyrimidin-6-one
PubChem CID135709694
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name5-amino-4-(tert-butylamino)-1H-pyrimidin-6-one
SMILESCC(C)(C)Nc1nc[nH]c(=O)c1N
InChIInChI=1S/C8H14N4O/c1-8(2,3)12-6-5(9)7(13)11-4-10-6/h4H,9H2,1-3H3,(H2,10,11,12,13)
InChIKeyGDSUMSQDXNULGB-UHFFFAOYSA-N
XLogP0.56
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6,6-Dimethyltetrahydropterin
CID 135537086
5-Amino-4-hydroxy-6-(methylamino)pyrimidine
CID 135500477
5-Amino-4-hydroxy-6-(methylamino)pyrimidine
CID 135500477
5-Amino-6-(ethylamino)-4(3h)-pyrimidinone
CID 135786481
5-Amino-6-(ethylamino)-4(3h)-pyrimidinone
CID 135786481
Pyrimidine, 2,5-diamino-3,4-dihydro-6-methylamino-4-oxo-
CID 135850747
Pyrimidine, 2,5-diamino-3,4-dihydro-6-methylamino-4-oxo-
CID 135850747
Pyrimidine, 4-amino-5-ethylamino-6-hydroxy-
CID 169130890
Pyrimidine, 5-diethylamino-4-ethylamino-6-hydroxy-
CID 171384170
Pyrimidine, 5-diethylamino-4-ethylamino-6-hydroxy-
CID 171384170
5-amino-4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyrimidin-6-one
CID 136736699
5-amino-4-(4,4,4-trifluorobutan-2-ylamino)-1H-pyrimidin-6-one
CID 136786689

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(tert-butylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(tert-butylamino)-1H-pyrimidin-6-one (CID 135709694) is 5-amino-4-(tert-butylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(tert-butylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(tert-butylamino)-1H-pyrimidin-6-one is CC(C)(C)Nc1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-(tert-butylamino)-1H-pyrimidin-6-one?
The InChIKey is GDSUMSQDXNULGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-8(2,3)12-6-5(9)7(13)11-4-10-6/h4H,9H2,1-3H3,(H2,10,11,12,13).
What are the key properties of 5-amino-4-(tert-butylamino)-1H-pyrimidin-6-one?
5-amino-4-(tert-butylamino)-1H-pyrimidin-6-one has a molecular weight of 182.23 g/mol, XLogP of 0.56, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(tert-butylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 135709694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).