6-(10-aminodecylamino)-1H-pyrimidin-2-one

C14H26N4O — CID 18981090

IUPAC6-(10-aminodecylamino)-1H-pyrimidin-2-one
SMILESNCCCCCCCCCCNc1ccnc(=O)[nH]1
InChIInChI=1S/C14H26N4O/c15-10-7-5-3-1-2-4-6-8-11-16-13-9-12-17-14(19)18-13/h9,12H,1-8,10-11,15H2,(H2,16,17,18,19)
InChIKeyMDSAFIHPHFDPMR-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.26
Rot. Bonds11

About 6-(10-aminodecylamino)-1H-pyrimidin-2-one

6-(10-aminodecylamino)-1H-pyrimidin-2-one (PubChem CID 18981090) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 6-(10-aminodecylamino)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(10-aminodecylamino)-1H-pyrimidin-2-one
PubChem CID18981090
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name6-(10-aminodecylamino)-1H-pyrimidin-2-one
SMILESNCCCCCCCCCCNc1ccnc(=O)[nH]1
InChIInChI=1S/C14H26N4O/c15-10-7-5-3-1-2-4-6-8-11-16-13-9-12-17-14(19)18-13/h9,12H,1-8,10-11,15H2,(H2,16,17,18,19)
InChIKeyMDSAFIHPHFDPMR-UHFFFAOYSA-N
XLogP2.26
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.26
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

Pyrimidine, 4-butylamino-2-hydroxy-
CID 23422134
6-(pentylamino)-1H-pyrimidin-2-one
CID 309341
n4-Hexadecyl-cytosine
CID 69565650
5-fluoro-6-(octylamino)-1H-pyrimidin-2-one
CID 145209717
6-(cyclohexylamino)-1H-pyrimidin-2-one
CID 101608710
6-(cycloheptylamino)-1H-pyrimidin-2-one
CID 101608711
6-(heptylamino)-1H-pyrimidin-2-one
CID 15618922
6-(octylamino)-1H-pyrimidin-2-one
CID 15618923
6-(dodecylamino)-1H-pyrimidin-2-one
CID 15618925
6-(6-aminohexylamino)-1H-pyrimidin-2-one
CID 18981091
6-(4-aminobutylamino)-1H-pyrimidin-2-one
CID 20077833
6-(3-aminopentylamino)-1H-pyrimidin-2-one
CID 69088967

Frequently Asked Questions

What is the IUPAC name of 6-(10-aminodecylamino)-1H-pyrimidin-2-one?
The IUPAC name of 6-(10-aminodecylamino)-1H-pyrimidin-2-one (CID 18981090) is 6-(10-aminodecylamino)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(10-aminodecylamino)-1H-pyrimidin-2-one?
The canonical SMILES for 6-(10-aminodecylamino)-1H-pyrimidin-2-one is NCCCCCCCCCCNc1ccnc(=O)[nH]1.
What is the InChIKey of 6-(10-aminodecylamino)-1H-pyrimidin-2-one?
The InChIKey is MDSAFIHPHFDPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c15-10-7-5-3-1-2-4-6-8-11-16-13-9-12-17-14(19)18-13/h9,12H,1-8,10-11,15H2,(H2,16,17,18,19).
What are the key properties of 6-(10-aminodecylamino)-1H-pyrimidin-2-one?
6-(10-aminodecylamino)-1H-pyrimidin-2-one has a molecular weight of 266.39 g/mol, XLogP of 2.26, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(10-aminodecylamino)-1H-pyrimidin-2-one is sourced from PubChem (CID 18981090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).