(Z)-N-(4-amino-6-oxo-1H-pyrimidin-5-yl)octadec-9-enamide

C22H38N4O2 — CID 137048002

IUPAC(Z)-N-(4-amino-6-oxo-1H-pyrimidin-5-yl)octadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)Nc1c(N)nc[nH]c1=O
InChIInChI=1S/C22H38N4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(27)26-20-21(23)24-18-25-22(20)28/h9-10,18H,2-8,11-17H2,1H3,(H,26,27)(H3,23,24,25,28)/b10-9-
InChIKeyXUZABGAVYFBKFM-KTKRTIGZSA-N
MW390.57 g/mol
LogP5.33
Rot. Bonds16

About (Z)-N-(4-amino-6-oxo-1H-pyrimidin-5-yl)octadec-9-enamide

(Z)-N-(4-amino-6-oxo-1H-pyrimidin-5-yl)octadec-9-enamide (PubChem CID 137048002) has the molecular formula C22H38N4O2 and a molecular weight of 390.57 g/mol. Its IUPAC name is (Z)-N-(4-amino-6-oxo-1H-pyrimidin-5-yl)octadec-9-enamide.

Molecular Properties

Compound Name(Z)-N-(4-amino-6-oxo-1H-pyrimidin-5-yl)octadec-9-enamide
PubChem CID137048002
Molecular FormulaC22H38N4O2
Molecular Weight390.57 g/mol
Exact Mass390.30
IUPAC Name(Z)-N-(4-amino-6-oxo-1H-pyrimidin-5-yl)octadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)Nc1c(N)nc[nH]c1=O
InChIInChI=1S/C22H38N4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(27)26-20-21(23)24-18-25-22(20)28/h9-10,18H,2-8,11-17H2,1H3,(H,26,27)(H3,23,24,25,28)/b10-9-
InChIKeyXUZABGAVYFBKFM-KTKRTIGZSA-N
XLogP5.33
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.57
LogP ≤ 55.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-(2,6-diethylphenyl)octadec-9-enamide
CID 15743064
(Z)-N-pyridin-2-yloctadec-9-enamide
CID 145189388
N-[4-(butanoylamino)-6-oxo-1H-pyrimidin-5-yl]butanamide
CID 135802457
(Z)-N-[2,6-di(propan-2-yl)phenyl]nonadec-10-enamide
CID 71684537
N-phenyldocos-13-enamide
CID 54224492
(Z)-N-phenyloctadec-9-enamide
CID 5354590
(E)-N-(2,4,6-trimethoxyphenyl)icos-11-enamide
CID 67862538
(Z)-N-(2,4,6-trimethoxyphenyl)octadec-9-enamide
CID 14157095
(E)-octadec-9-enehydrazide
CID 6281873
gadolinium;tris((Z)-hexadec-9-enoic acid)
CID 155704276
CID 173344476
CID 173344476
N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)octadec-9-enamide
CID 3108062

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(4-amino-6-oxo-1H-pyrimidin-5-yl)octadec-9-enamide?
The IUPAC name of (Z)-N-(4-amino-6-oxo-1H-pyrimidin-5-yl)octadec-9-enamide (CID 137048002) is (Z)-N-(4-amino-6-oxo-1H-pyrimidin-5-yl)octadec-9-enamide.
What is the SMILES notation for (Z)-N-(4-amino-6-oxo-1H-pyrimidin-5-yl)octadec-9-enamide?
The canonical SMILES for (Z)-N-(4-amino-6-oxo-1H-pyrimidin-5-yl)octadec-9-enamide is CCCCCCCC/C=C\CCCCCCCC(=O)Nc1c(N)nc[nH]c1=O.
What is the InChIKey of (Z)-N-(4-amino-6-oxo-1H-pyrimidin-5-yl)octadec-9-enamide?
The InChIKey is XUZABGAVYFBKFM-KTKRTIGZSA-N. The full InChI is InChI=1S/C22H38N4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(27)26-20-21(23)24-18-25-22(20)28/h9-10,18H,2-8,11-17H2,1H3,(H,26,27)(H3,23,24,25,28)/b10-9-.
What are the key properties of (Z)-N-(4-amino-6-oxo-1H-pyrimidin-5-yl)octadec-9-enamide?
(Z)-N-(4-amino-6-oxo-1H-pyrimidin-5-yl)octadec-9-enamide has a molecular weight of 390.57 g/mol, XLogP of 5.33, 16 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(4-amino-6-oxo-1H-pyrimidin-5-yl)octadec-9-enamide is sourced from PubChem (CID 137048002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).