5-amino-4-[(3-methyl-2-propan-2-ylbutyl)amino]-1H-pyrimidin-6-one

C12H22N4O — CID 136750473

IUPAC5-amino-4-[(3-methyl-2-propan-2-ylbutyl)amino]-1H-pyrimidin-6-one
SMILESCC(C)C(CNc1nc[nH]c(=O)c1N)C(C)C
InChIInChI=1S/C12H22N4O/c1-7(2)9(8(3)4)5-14-11-10(13)12(17)16-6-15-11/h6-9H,5,13H2,1-4H3,(H2,14,15,16,17)
InChIKeyUORSPMDTBHTBPZ-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.69
Rot. Bonds5

About 5-amino-4-[(3-methyl-2-propan-2-ylbutyl)amino]-1H-pyrimidin-6-one

5-amino-4-[(3-methyl-2-propan-2-ylbutyl)amino]-1H-pyrimidin-6-one (PubChem CID 136750473) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 5-amino-4-[(3-methyl-2-propan-2-ylbutyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[(3-methyl-2-propan-2-ylbutyl)amino]-1H-pyrimidin-6-one
PubChem CID136750473
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name5-amino-4-[(3-methyl-2-propan-2-ylbutyl)amino]-1H-pyrimidin-6-one
SMILESCC(C)C(CNc1nc[nH]c(=O)c1N)C(C)C
InChIInChI=1S/C12H22N4O/c1-7(2)9(8(3)4)5-14-11-10(13)12(17)16-6-15-11/h6-9H,5,13H2,1-4H3,(H2,14,15,16,17)
InChIKeyUORSPMDTBHTBPZ-UHFFFAOYSA-N
XLogP1.69
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-bis(pentylamino)-1H-pyrimidin-6-one
CID 136423435
5-amino-4-(2-methylpropylamino)-1H-pyrimidin-6-one
CID 136973510
2,5-diamino-4-(cyclohexylmethylamino)-1H-pyrimidin-6-one
CID 135412685
5-amino-4-[butyl(methyl)amino]-1H-pyrimidin-6-one
CID 135568285
5-amino-4-(3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 135568286
5-amino-4-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 135568288
5-amino-4-[bis(2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 135568292
5-amino-4-(3-methylbutylamino)-1H-pyrimidin-6-one
CID 135575706
5-amino-4-(butylamino)-1H-pyrimidin-6-one
CID 135786480
5-amino-4-(5-aminopentylamino)-1H-pyrimidin-6-one
CID 136689854
5-amino-4-[(1-ethylcyclopentyl)methylamino]-1H-pyrimidin-6-one
CID 136723579
5-amino-4-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136731876

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[(3-methyl-2-propan-2-ylbutyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[(3-methyl-2-propan-2-ylbutyl)amino]-1H-pyrimidin-6-one (CID 136750473) is 5-amino-4-[(3-methyl-2-propan-2-ylbutyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[(3-methyl-2-propan-2-ylbutyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[(3-methyl-2-propan-2-ylbutyl)amino]-1H-pyrimidin-6-one is CC(C)C(CNc1nc[nH]c(=O)c1N)C(C)C.
What is the InChIKey of 5-amino-4-[(3-methyl-2-propan-2-ylbutyl)amino]-1H-pyrimidin-6-one?
The InChIKey is UORSPMDTBHTBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-7(2)9(8(3)4)5-14-11-10(13)12(17)16-6-15-11/h6-9H,5,13H2,1-4H3,(H2,14,15,16,17).
What are the key properties of 5-amino-4-[(3-methyl-2-propan-2-ylbutyl)amino]-1H-pyrimidin-6-one?
5-amino-4-[(3-methyl-2-propan-2-ylbutyl)amino]-1H-pyrimidin-6-one has a molecular weight of 238.33 g/mol, XLogP of 1.69, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[(3-methyl-2-propan-2-ylbutyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136750473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).