1-[6-(2-ethylpentoxyamino)sulfanylhexyl]-3-pyrimidin-4-ylurea

C18H33N5O2S — CID 143948198

IUPAC1-[6-(2-ethylpentoxyamino)sulfanylhexyl]-3-pyrimidin-4-ylurea
SMILESCCCC(CC)CONSCCCCCCNC(=O)Nc1ccncn1
InChIInChI=1S/C18H33N5O2S/c1-3-9-16(4-2)14-25-23-26-13-8-6-5-7-11-20-18(24)22-17-10-12-19-15-21-17/h10,12,15-16,23H,3-9,11,13-14H2,1-2H3,(H2,19,20,21,22,24)
InChIKeyJKUXWEWHFBDZDI-UHFFFAOYSA-N
MW383.56 g/mol
LogP4.15
Rot. Bonds15

About 1-[6-(2-ethylpentoxyamino)sulfanylhexyl]-3-pyrimidin-4-ylurea

1-[6-(2-ethylpentoxyamino)sulfanylhexyl]-3-pyrimidin-4-ylurea (PubChem CID 143948198) has the molecular formula C18H33N5O2S and a molecular weight of 383.56 g/mol. Its IUPAC name is 1-[6-(2-ethylpentoxyamino)sulfanylhexyl]-3-pyrimidin-4-ylurea.

Molecular Properties

Compound Name1-[6-(2-ethylpentoxyamino)sulfanylhexyl]-3-pyrimidin-4-ylurea
PubChem CID143948198
Molecular FormulaC18H33N5O2S
Molecular Weight383.56 g/mol
Exact Mass383.24
IUPAC Name1-[6-(2-ethylpentoxyamino)sulfanylhexyl]-3-pyrimidin-4-ylurea
SMILESCCCC(CC)CONSCCCCCCNC(=O)Nc1ccncn1
InChIInChI=1S/C18H33N5O2S/c1-3-9-16(4-2)14-25-23-26-13-8-6-5-7-11-20-18(24)22-17-10-12-19-15-21-17/h10,12,15-16,23H,3-9,11,13-14H2,1-2H3,(H2,19,20,21,22,24)
InChIKeyJKUXWEWHFBDZDI-UHFFFAOYSA-N
XLogP4.15
TPSA88.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.56
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[6-(2-ethylpentoxyamino)sulfanylhexyl]-3-pyrimidin-4-ylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(diethylamino)ethyl]-3-pyrimidin-4-ylurea
CID 141083687
N-pyrimidin-4-yltetradecanamide
CID 54258014
(2S,3S)-2-amino-3-methyl-N-pyrimidin-4-ylpentanamide
CID 110837827
N-pyrimidin-4-ylbutanamide
CID 130272746
1-hexyl-3-(5-methyl-2-pyridinyl)urea
CID 158285971
1-pentyl-3-pyrazin-2-ylurea
CID 110492127
2-methoxy-N-pyrimidin-4-ylacetamide
CID 110460486
N-pyrimidin-4-ylacetamide;hydrochloride
CID 126797028
1-[2-(pentan-3-ylamino)ethyl]-3-pyridin-2-ylurea
CID 138623124
1-[5-(aminomethyl)-2-pyridinyl]-3-butylurea
CID 62354751
1-hexyl-3-[5-[2-[4-(trifluoromethyl)phenyl]ethynyl]-2-pyridinyl]urea
CID 50916966
1-hexyl-3-(pyridine-4-carbonylamino)urea
CID 24975112

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-ethylpentoxyamino)sulfanylhexyl]-3-pyrimidin-4-ylurea?
The IUPAC name of 1-[6-(2-ethylpentoxyamino)sulfanylhexyl]-3-pyrimidin-4-ylurea (CID 143948198) is 1-[6-(2-ethylpentoxyamino)sulfanylhexyl]-3-pyrimidin-4-ylurea.
What is the SMILES notation for 1-[6-(2-ethylpentoxyamino)sulfanylhexyl]-3-pyrimidin-4-ylurea?
The canonical SMILES for 1-[6-(2-ethylpentoxyamino)sulfanylhexyl]-3-pyrimidin-4-ylurea is CCCC(CC)CONSCCCCCCNC(=O)Nc1ccncn1.
What is the InChIKey of 1-[6-(2-ethylpentoxyamino)sulfanylhexyl]-3-pyrimidin-4-ylurea?
The InChIKey is JKUXWEWHFBDZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N5O2S/c1-3-9-16(4-2)14-25-23-26-13-8-6-5-7-11-20-18(24)22-17-10-12-19-15-21-17/h10,12,15-16,23H,3-9,11,13-14H2,1-2H3,(H2,19,20,21,22,24).
What are the key properties of 1-[6-(2-ethylpentoxyamino)sulfanylhexyl]-3-pyrimidin-4-ylurea?
1-[6-(2-ethylpentoxyamino)sulfanylhexyl]-3-pyrimidin-4-ylurea has a molecular weight of 383.56 g/mol, XLogP of 4.15, 15 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-ethylpentoxyamino)sulfanylhexyl]-3-pyrimidin-4-ylurea is sourced from PubChem (CID 143948198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).