4-amino-2-dodecyl-1H-pyrimidin-6-one

C16H29N3O — CID 136662687

IUPAC4-amino-2-dodecyl-1H-pyrimidin-6-one
SMILESCCCCCCCCCCCCc1nc(N)cc(=O)[nH]1
InChIInChI=1S/C16H29N3O/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-14(17)13-16(20)19-15/h13H,2-12H2,1H3,(H3,17,18,19,20)
InChIKeyPVIZDTYQGNNMTB-UHFFFAOYSA-N
MW279.43 g/mol
LogP3.82
Rot. Bonds11

About 4-amino-2-dodecyl-1H-pyrimidin-6-one

4-amino-2-dodecyl-1H-pyrimidin-6-one (PubChem CID 136662687) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 4-amino-2-dodecyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-2-dodecyl-1H-pyrimidin-6-one
PubChem CID136662687
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name4-amino-2-dodecyl-1H-pyrimidin-6-one
SMILESCCCCCCCCCCCCc1nc(N)cc(=O)[nH]1
InChIInChI=1S/C16H29N3O/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-14(17)13-16(20)19-15/h13H,2-12H2,1H3,(H3,17,18,19,20)
InChIKeyPVIZDTYQGNNMTB-UHFFFAOYSA-N
XLogP3.82
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hexyl-4-hydroxy-1H-pyrimidin-6-one
CID 23042624
2-heptyl-4-hydroxy-1H-pyrimidin-6-one
CID 127044143
4-hydroxy-2-octyl-1H-pyrimidin-6-one
CID 127044149
4-hydroxy-2-nonan-2-yl-1H-pyrimidin-6-one
CID 127044150
4-hydroxy-2-nonyl-1H-pyrimidin-6-one
CID 127044607
4-hydroxy-2-pentyl-1H-pyrimidin-6-one
CID 70233802
Pyrimidine, 2-butyl-4-chloro-6-hydroxy-
CID 135828000
Pyrimidine, 2-butyl-4-hydroxy-6-mercapto-
CID 23423879
2-Butyl-6-hydroxypyrimidin-4(1H)-one
CID 12280643
2-pentyl-1H-pyrimidin-6-one
CID 66594866
4-Amino-2-butylpyrimid-6-one
CID 136279932
4-amino-2-pentyl-1H-pyrimidin-6-one
CID 136420018

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-dodecyl-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-2-dodecyl-1H-pyrimidin-6-one (CID 136662687) is 4-amino-2-dodecyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-2-dodecyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-2-dodecyl-1H-pyrimidin-6-one is CCCCCCCCCCCCc1nc(N)cc(=O)[nH]1.
What is the InChIKey of 4-amino-2-dodecyl-1H-pyrimidin-6-one?
The InChIKey is PVIZDTYQGNNMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-14(17)13-16(20)19-15/h13H,2-12H2,1H3,(H3,17,18,19,20).
What are the key properties of 4-amino-2-dodecyl-1H-pyrimidin-6-one?
4-amino-2-dodecyl-1H-pyrimidin-6-one has a molecular weight of 279.43 g/mol, XLogP of 3.82, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-dodecyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136662687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).