4-(6-aminohexylamino)-2-methyl-1H-pyrimidin-6-one

C11H20N4O — CID 136755777

IUPAC4-(6-aminohexylamino)-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(NCCCCCCN)cc(=O)[nH]1
InChIInChI=1S/C11H20N4O/c1-9-14-10(8-11(16)15-9)13-7-5-3-2-4-6-12/h8H,2-7,12H2,1H3,(H2,13,14,15,16)
InChIKeyZNKZEBROHWRXPF-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.01
Rot. Bonds7

About 4-(6-aminohexylamino)-2-methyl-1H-pyrimidin-6-one

4-(6-aminohexylamino)-2-methyl-1H-pyrimidin-6-one (PubChem CID 136755777) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 4-(6-aminohexylamino)-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(6-aminohexylamino)-2-methyl-1H-pyrimidin-6-one
PubChem CID136755777
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name4-(6-aminohexylamino)-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(NCCCCCCN)cc(=O)[nH]1
InChIInChI=1S/C11H20N4O/c1-9-14-10(8-11(16)15-9)13-7-5-3-2-4-6-12/h8H,2-7,12H2,1H3,(H2,13,14,15,16)
InChIKeyZNKZEBROHWRXPF-UHFFFAOYSA-N
XLogP1.01
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-4-(4,4,4-trifluorobutylamino)-1H-pyrimidin-6-one
CID 136957049
2-ethyl-4-(5,5,5-trifluoropentylamino)-1H-pyrimidin-6-one
CID 136976592
2-propan-2-yl-4-(5,5,5-trifluoropentylamino)-1H-pyrimidin-6-one
CID 136976595
2-methyl-4-(5,5,5-trifluoropentylamino)-1H-pyrimidin-6-one
CID 137015545
2-ethyl-4-(2-fluoroethylamino)-1H-pyrimidin-6-one
CID 137262841
N-(1-Hexyl-2-oxo-1,2-dihydro-pyrimidin-4-yl)-acetamide
CID 68974383
4-(ethylamino)-2-methyl-1H-pyrimidin-6-one
CID 136117232
4-amino-2-pentyl-1H-pyrimidin-6-one
CID 136420018
4-Hydroxy-2-methyl-6-(piperidin-1-yl)pyrimidine
CID 137000217
3-Ethyl-6-(ethylamino)-2-methylpyrimidin-4-one
CID 12352076
2-(Aminomethyl)-3-methyl-6-piperidin-1-ylpyrimidin-4-one
CID 84687782
2-(3-Aminopropyl)-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one
CID 84699556

Frequently Asked Questions

What is the IUPAC name of 4-(6-aminohexylamino)-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(6-aminohexylamino)-2-methyl-1H-pyrimidin-6-one (CID 136755777) is 4-(6-aminohexylamino)-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(6-aminohexylamino)-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(6-aminohexylamino)-2-methyl-1H-pyrimidin-6-one is Cc1nc(NCCCCCCN)cc(=O)[nH]1.
What is the InChIKey of 4-(6-aminohexylamino)-2-methyl-1H-pyrimidin-6-one?
The InChIKey is ZNKZEBROHWRXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-9-14-10(8-11(16)15-9)13-7-5-3-2-4-6-12/h8H,2-7,12H2,1H3,(H2,13,14,15,16).
What are the key properties of 4-(6-aminohexylamino)-2-methyl-1H-pyrimidin-6-one?
4-(6-aminohexylamino)-2-methyl-1H-pyrimidin-6-one has a molecular weight of 224.31 g/mol, XLogP of 1.01, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-aminohexylamino)-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136755777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).