5-amino-4-[[3-methyl-2-(4-methylpiperazin-1-yl)butyl]amino]-1H-pyrimidin-6-one

C14H26N6O — CID 136974646

IUPAC5-amino-4-[[3-methyl-2-(4-methylpiperazin-1-yl)butyl]amino]-1H-pyrimidin-6-one
SMILESCC(C)C(CNc1nc[nH]c(=O)c1N)N1CCN(C)CC1
InChIInChI=1S/C14H26N6O/c1-10(2)11(20-6-4-19(3)5-7-20)8-16-13-12(15)14(21)18-9-17-13/h9-11H,4-8,15H2,1-3H3,(H2,16,17,18,21)
InChIKeyFJCOYODFBJKQMD-UHFFFAOYSA-N
MW294.40 g/mol
LogP0.04
Rot. Bonds5

About 5-amino-4-[[3-methyl-2-(4-methylpiperazin-1-yl)butyl]amino]-1H-pyrimidin-6-one

5-amino-4-[[3-methyl-2-(4-methylpiperazin-1-yl)butyl]amino]-1H-pyrimidin-6-one (PubChem CID 136974646) has the molecular formula C14H26N6O and a molecular weight of 294.40 g/mol. Its IUPAC name is 5-amino-4-[[3-methyl-2-(4-methylpiperazin-1-yl)butyl]amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[[3-methyl-2-(4-methylpiperazin-1-yl)butyl]amino]-1H-pyrimidin-6-one
PubChem CID136974646
Molecular FormulaC14H26N6O
Molecular Weight294.40 g/mol
Exact Mass294.22
IUPAC Name5-amino-4-[[3-methyl-2-(4-methylpiperazin-1-yl)butyl]amino]-1H-pyrimidin-6-one
SMILESCC(C)C(CNc1nc[nH]c(=O)c1N)N1CCN(C)CC1
InChIInChI=1S/C14H26N6O/c1-10(2)11(20-6-4-19(3)5-7-20)8-16-13-12(15)14(21)18-9-17-13/h9-11H,4-8,15H2,1-3H3,(H2,16,17,18,21)
InChIKeyFJCOYODFBJKQMD-UHFFFAOYSA-N
XLogP0.04
TPSA90.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-4-(2-methylpropylamino)-1H-pyrimidin-6-one
CID 136973510
5-amino-4-(2-methoxypropylamino)-1H-pyrimidin-6-one
CID 136820289
5-amino-4-(2-ethylbutylamino)-1H-pyrimidin-6-one
CID 136977396
5-amino-4-[(2-amino-4-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136912678
5-amino-4-[(2-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136703841
5-amino-4-[(3-methoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 136975203
3,6-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrazin-2-amine
CID 65416239
5-amino-4-[(2-amino-4,4-dimethylpentyl)amino]-1H-pyrimidin-6-one
CID 136961736
5-amino-4-[(2-hydroxy-3-methoxypropyl)amino]-1H-pyrimidin-6-one
CID 136975883
3-[[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]methyl]-5-methylhexanoic acid
CID 136959119
5-amino-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136974394
2-chloro-5-fluoro-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrimidin-4-amine
CID 106194210

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[[3-methyl-2-(4-methylpiperazin-1-yl)butyl]amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[[3-methyl-2-(4-methylpiperazin-1-yl)butyl]amino]-1H-pyrimidin-6-one (CID 136974646) is 5-amino-4-[[3-methyl-2-(4-methylpiperazin-1-yl)butyl]amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[[3-methyl-2-(4-methylpiperazin-1-yl)butyl]amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[[3-methyl-2-(4-methylpiperazin-1-yl)butyl]amino]-1H-pyrimidin-6-one is CC(C)C(CNc1nc[nH]c(=O)c1N)N1CCN(C)CC1.
What is the InChIKey of 5-amino-4-[[3-methyl-2-(4-methylpiperazin-1-yl)butyl]amino]-1H-pyrimidin-6-one?
The InChIKey is FJCOYODFBJKQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N6O/c1-10(2)11(20-6-4-19(3)5-7-20)8-16-13-12(15)14(21)18-9-17-13/h9-11H,4-8,15H2,1-3H3,(H2,16,17,18,21).
What are the key properties of 5-amino-4-[[3-methyl-2-(4-methylpiperazin-1-yl)butyl]amino]-1H-pyrimidin-6-one?
5-amino-4-[[3-methyl-2-(4-methylpiperazin-1-yl)butyl]amino]-1H-pyrimidin-6-one has a molecular weight of 294.40 g/mol, XLogP of 0.04, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[[3-methyl-2-(4-methylpiperazin-1-yl)butyl]amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136974646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).