5-amino-4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one

C11H20N4O2 — CID 136723590

IUPAC5-amino-4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one
SMILESCOCCC(C)(C)CNc1nc[nH]c(=O)c1N
InChIInChI=1S/C11H20N4O2/c1-11(2,4-5-17-3)6-13-9-8(12)10(16)15-7-14-9/h7H,4-6,12H2,1-3H3,(H2,13,14,15,16)
InChIKeyUZWATSYHKORWSD-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.83
Rot. Bonds6

About 5-amino-4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one

5-amino-4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one (PubChem CID 136723590) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 5-amino-4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one
PubChem CID136723590
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name5-amino-4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one
SMILESCOCCC(C)(C)CNc1nc[nH]c(=O)c1N
InChIInChI=1S/C11H20N4O2/c1-11(2,4-5-17-3)6-13-9-8(12)10(16)15-7-14-9/h7H,4-6,12H2,1-3H3,(H2,13,14,15,16)
InChIKeyUZWATSYHKORWSD-UHFFFAOYSA-N
XLogP0.83
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-4-(3,3-dimethylbutoxy)-1H-pyrimidin-6-one
CID 103241770
5-amino-4-(3-methoxypropylamino)-1H-pyrimidin-6-one
CID 135568311
5-amino-4-(3-methylbutylamino)-1H-pyrimidin-6-one
CID 135575706
5-iodo-4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one
CID 136723594
4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one
CID 136723596
5-amino-4-[(4-methyloxan-4-yl)methylamino]-1H-pyrimidin-6-one
CID 136723600
5-amino-4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one
CID 136756213
5-amino-4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one
CID 136764966
5-amino-4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one
CID 136768850
5-amino-4-[(3-amino-4-methoxybutyl)amino]-1H-pyrimidin-6-one
CID 136805760
5-amino-4-[1-(oxan-4-yl)ethylamino]-1H-pyrimidin-6-one
CID 136824104
5-amino-4-(2,2,3-trimethylbutylamino)-1H-pyrimidin-6-one
CID 136852201

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one (CID 136723590) is 5-amino-4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one is COCCC(C)(C)CNc1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one?
The InChIKey is UZWATSYHKORWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-11(2,4-5-17-3)6-13-9-8(12)10(16)15-7-14-9/h7H,4-6,12H2,1-3H3,(H2,13,14,15,16).
What are the key properties of 5-amino-4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one?
5-amino-4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one has a molecular weight of 240.31 g/mol, XLogP of 0.83, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136723590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).