4-[(3-amino-4-methoxybutyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one

C12H22N4O2 — CID 136805761

IUPAC4-[(3-amino-4-methoxybutyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCOCC(N)CCNc1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C12H22N4O2/c1-8(2)12-15-10(6-11(17)16-12)14-5-4-9(13)7-18-3/h6,8-9H,4-5,7,13H2,1-3H3,(H2,14,15,16,17)
InChIKeyYBUVMGADIKVVNW-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.67
Rot. Bonds7

About 4-[(3-amino-4-methoxybutyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one

4-[(3-amino-4-methoxybutyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136805761) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-[(3-amino-4-methoxybutyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(3-amino-4-methoxybutyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136805761
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name4-[(3-amino-4-methoxybutyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCOCC(N)CCNc1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C12H22N4O2/c1-8(2)12-15-10(6-11(17)16-12)14-5-4-9(13)7-18-3/h6,8-9H,4-5,7,13H2,1-3H3,(H2,14,15,16,17)
InChIKeyYBUVMGADIKVVNW-UHFFFAOYSA-N
XLogP0.67
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-propan-2-yl-4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one
CID 113604868
4-[(4-methoxy-2,2-dimethylbutyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136723588
4-[(4-methoxy-2,2-dimethylbutyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136723591
2-cyclopropyl-4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one
CID 136723592
2-ethyl-4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one
CID 136723598
4-[3-(2-aminoethoxy)propylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136730544
4-[3-(2-aminoethoxy)propylamino]-2-cyclopropyl-1H-pyrimidin-6-one
CID 136730546
4-[3-(2-aminoethoxy)propylamino]-2-methyl-1H-pyrimidin-6-one
CID 136730547
2-ethyl-4-[3-(2-methylpropoxy)propylamino]-1H-pyrimidin-6-one
CID 136764963
4-[3-(2-methylpropoxy)propylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136764967
4-[2-(cyclopropylmethoxy)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136764985
4-(4-hydroxybutylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136772469

Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-4-methoxybutyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(3-amino-4-methoxybutyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one (CID 136805761) is 4-[(3-amino-4-methoxybutyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(3-amino-4-methoxybutyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(3-amino-4-methoxybutyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one is COCC(N)CCNc1cc(=O)[nH]c(C(C)C)n1.
What is the InChIKey of 4-[(3-amino-4-methoxybutyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is YBUVMGADIKVVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-8(2)12-15-10(6-11(17)16-12)14-5-4-9(13)7-18-3/h6,8-9H,4-5,7,13H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 4-[(3-amino-4-methoxybutyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
4-[(3-amino-4-methoxybutyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 254.33 g/mol, XLogP of 0.67, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-4-methoxybutyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136805761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).