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

C10H18N4O — CID 18981091

IUPAC6-(6-aminohexylamino)-1H-pyrimidin-2-one
SMILESNCCCCCCNc1ccnc(=O)[nH]1
InChIInChI=1S/C10H18N4O/c11-6-3-1-2-4-7-12-9-5-8-13-10(15)14-9/h5,8H,1-4,6-7,11H2,(H2,12,13,14,15)
InChIKeyHDBKWYUURFCWBP-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.70
Rot. Bonds7

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

6-(6-aminohexylamino)-1H-pyrimidin-2-one (PubChem CID 18981091) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 6-(6-aminohexylamino)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(6-aminohexylamino)-1H-pyrimidin-2-one
PubChem CID18981091
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name6-(6-aminohexylamino)-1H-pyrimidin-2-one
SMILESNCCCCCCNc1ccnc(=O)[nH]1
InChIInChI=1S/C10H18N4O/c11-6-3-1-2-4-7-12-9-5-8-13-10(15)14-9/h5,8H,1-4,6-7,11H2,(H2,12,13,14,15)
InChIKeyHDBKWYUURFCWBP-UHFFFAOYSA-N
XLogP0.70
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.70
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

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CID 139198202
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CID 101608711
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CID 15618922
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CID 15618923
CID 15618923
CID 15618925
CID 15618925
CID 18981090
CID 18981090
CID 19795854
CID 19795854

Frequently Asked Questions

What is the IUPAC name of 6-(6-aminohexylamino)-1H-pyrimidin-2-one?
The IUPAC name of 6-(6-aminohexylamino)-1H-pyrimidin-2-one (CID 18981091) is 6-(6-aminohexylamino)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(6-aminohexylamino)-1H-pyrimidin-2-one?
The canonical SMILES for 6-(6-aminohexylamino)-1H-pyrimidin-2-one is NCCCCCCNc1ccnc(=O)[nH]1.
What is the InChIKey of 6-(6-aminohexylamino)-1H-pyrimidin-2-one?
The InChIKey is HDBKWYUURFCWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c11-6-3-1-2-4-7-12-9-5-8-13-10(15)14-9/h5,8H,1-4,6-7,11H2,(H2,12,13,14,15).
What are the key properties of 6-(6-aminohexylamino)-1H-pyrimidin-2-one?
6-(6-aminohexylamino)-1H-pyrimidin-2-one has a molecular weight of 210.28 g/mol, XLogP of 0.70, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-aminohexylamino)-1H-pyrimidin-2-one is sourced from PubChem (CID 18981091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).