1-(4-heptan-3-yl-6-oxo-1H-pyrimidin-2-yl)-3-propylurea

C15H26N4O2 — CID 135730282

IUPAC1-(4-heptan-3-yl-6-oxo-1H-pyrimidin-2-yl)-3-propylurea
SMILESCCCCC(CC)c1cc(=O)[nH]c(NC(=O)NCCC)n1
InChIInChI=1S/C15H26N4O2/c1-4-7-8-11(6-3)12-10-13(20)18-14(17-12)19-15(21)16-9-5-2/h10-11H,4-9H2,1-3H3,(H3,16,17,18,19,20,21)
InChIKeyNHDJGHWEXFQTGH-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.99
Rot. Bonds8

About 1-(4-heptan-3-yl-6-oxo-1H-pyrimidin-2-yl)-3-propylurea

1-(4-heptan-3-yl-6-oxo-1H-pyrimidin-2-yl)-3-propylurea (PubChem CID 135730282) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-(4-heptan-3-yl-6-oxo-1H-pyrimidin-2-yl)-3-propylurea.

Molecular Properties

Compound Name1-(4-heptan-3-yl-6-oxo-1H-pyrimidin-2-yl)-3-propylurea
PubChem CID135730282
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name1-(4-heptan-3-yl-6-oxo-1H-pyrimidin-2-yl)-3-propylurea
SMILESCCCCC(CC)c1cc(=O)[nH]c(NC(=O)NCCC)n1
InChIInChI=1S/C15H26N4O2/c1-4-7-8-11(6-3)12-10-13(20)18-14(17-12)19-15(21)16-9-5-2/h10-11H,4-9H2,1-3H3,(H3,16,17,18,19,20,21)
InChIKeyNHDJGHWEXFQTGH-UHFFFAOYSA-N
XLogP2.99
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2(6-isocyanatohexylaminocarbonylamino)-6-methyl-4[1H]pyrimidinone
CID 135584193
1-(2-(4-cyclopentyl-6-oxopyrimidin-1(6H)-yl)ethyl)-3-isopropylurea
CID 71795184
1-(4-heptan-3-yl-6-oxo-1H-pyrimidin-2-yl)-3-methylurea
CID 137294122
1-(4-ethylhexyl)-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea;1-methyl-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea
CID 139212309
6-[3-(2-aminoethyl)hexyl]-1H-pyrimidine-2,4-dione
CID 67221348
6-(8-aminooctan-4-yl)-1H-pyrimidine-2,4-dione
CID 67222197
1-hexyl-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea
CID 135495326
1-butyl-3-(6-oxo-4-pentyl-1H-pyrimidin-2-yl)urea
CID 135698173
1-(6-isocyanato-2,4,4-trimethylhexyl)-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea
CID 135733645
2-amino-4-heptan-3-yl-1H-pyrimidin-6-one
CID 135752510
1-(6-isocyanatohexyl)-3-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)urea
CID 135911744
2-Butylureido-6-tridecyl-4-pyrimidinone
CID 135994934

Frequently Asked Questions

What is the IUPAC name of 1-(4-heptan-3-yl-6-oxo-1H-pyrimidin-2-yl)-3-propylurea?
The IUPAC name of 1-(4-heptan-3-yl-6-oxo-1H-pyrimidin-2-yl)-3-propylurea (CID 135730282) is 1-(4-heptan-3-yl-6-oxo-1H-pyrimidin-2-yl)-3-propylurea.
What is the SMILES notation for 1-(4-heptan-3-yl-6-oxo-1H-pyrimidin-2-yl)-3-propylurea?
The canonical SMILES for 1-(4-heptan-3-yl-6-oxo-1H-pyrimidin-2-yl)-3-propylurea is CCCCC(CC)c1cc(=O)[nH]c(NC(=O)NCCC)n1.
What is the InChIKey of 1-(4-heptan-3-yl-6-oxo-1H-pyrimidin-2-yl)-3-propylurea?
The InChIKey is NHDJGHWEXFQTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-4-7-8-11(6-3)12-10-13(20)18-14(17-12)19-15(21)16-9-5-2/h10-11H,4-9H2,1-3H3,(H3,16,17,18,19,20,21).
What are the key properties of 1-(4-heptan-3-yl-6-oxo-1H-pyrimidin-2-yl)-3-propylurea?
1-(4-heptan-3-yl-6-oxo-1H-pyrimidin-2-yl)-3-propylurea has a molecular weight of 294.40 g/mol, XLogP of 2.99, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-heptan-3-yl-6-oxo-1H-pyrimidin-2-yl)-3-propylurea is sourced from PubChem (CID 135730282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).