1-[4-(dimethylamino)-6-oxo-1H-pyrimidin-5-yl]-3-pentylurea

C12H21N5O2 — CID 135453909

IUPAC1-[4-(dimethylamino)-6-oxo-1H-pyrimidin-5-yl]-3-pentylurea
SMILESCCCCCNC(=O)Nc1c(N(C)C)nc[nH]c1=O
InChIInChI=1S/C12H21N5O2/c1-4-5-6-7-13-12(19)16-9-10(17(2)3)14-8-15-11(9)18/h8H,4-7H2,1-3H3,(H2,13,16,19)(H,14,15,18)
InChIKeyGJIUFVHLCQQMJE-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.15
Rot. Bonds6

About 1-[4-(dimethylamino)-6-oxo-1H-pyrimidin-5-yl]-3-pentylurea

1-[4-(dimethylamino)-6-oxo-1H-pyrimidin-5-yl]-3-pentylurea (PubChem CID 135453909) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-[4-(dimethylamino)-6-oxo-1H-pyrimidin-5-yl]-3-pentylurea.

Molecular Properties

Compound Name1-[4-(dimethylamino)-6-oxo-1H-pyrimidin-5-yl]-3-pentylurea
PubChem CID135453909
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name1-[4-(dimethylamino)-6-oxo-1H-pyrimidin-5-yl]-3-pentylurea
SMILESCCCCCNC(=O)Nc1c(N(C)C)nc[nH]c1=O
InChIInChI=1S/C12H21N5O2/c1-4-5-6-7-13-12(19)16-9-10(17(2)3)14-8-15-11(9)18/h8H,4-7H2,1-3H3,(H2,13,16,19)(H,14,15,18)
InChIKeyGJIUFVHLCQQMJE-UHFFFAOYSA-N
XLogP1.15
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.15
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

1-(3H-benzimidazol-5-yl)-3-dodecylurea
CID 58973015
4-[[4-(dimethylamino)-6-methoxypyrimidin-5-yl]carbamoylamino]butanoic acid
CID 122087086
1-octyl-3-(6-oxo-1H-pyrimidin-2-yl)urea
CID 91118207
1-[4-(dimethylamino)-6-[3-(5-methyl-4-phenylimidazol-1-yl)propylamino]pyrimidin-5-yl]-3-pentylurea
CID 22911278
1-pentyl-3-pyrazin-2-ylurea
CID 110492127
1-(4-fluorophenyl)-3-octadecylurea
CID 4518520
1-[2,6-di(propan-2-yl)phenyl]-3-octadecylurea
CID 10434973
1-[2-[3-(benzotriazol-2-yl)propoxy]-6-(dimethylamino)phenyl]-3-pentylurea
CID 10093846
1-dodecyl-3-(5-iodo-4-methyl-6-oxo-1H-pyrimidin-2-yl)urea
CID 137091467
1-dodecyl-3-phenylurea
CID 3697946
1-hexyl-3-(5-methyl-2-pyridinyl)urea
CID 158285971
4-[butyl(methyl)amino]-5-chloro-1H-pyrimidin-6-one
CID 137009015

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)-6-oxo-1H-pyrimidin-5-yl]-3-pentylurea?
The IUPAC name of 1-[4-(dimethylamino)-6-oxo-1H-pyrimidin-5-yl]-3-pentylurea (CID 135453909) is 1-[4-(dimethylamino)-6-oxo-1H-pyrimidin-5-yl]-3-pentylurea.
What is the SMILES notation for 1-[4-(dimethylamino)-6-oxo-1H-pyrimidin-5-yl]-3-pentylurea?
The canonical SMILES for 1-[4-(dimethylamino)-6-oxo-1H-pyrimidin-5-yl]-3-pentylurea is CCCCCNC(=O)Nc1c(N(C)C)nc[nH]c1=O.
What is the InChIKey of 1-[4-(dimethylamino)-6-oxo-1H-pyrimidin-5-yl]-3-pentylurea?
The InChIKey is GJIUFVHLCQQMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-4-5-6-7-13-12(19)16-9-10(17(2)3)14-8-15-11(9)18/h8H,4-7H2,1-3H3,(H2,13,16,19)(H,14,15,18).
What are the key properties of 1-[4-(dimethylamino)-6-oxo-1H-pyrimidin-5-yl]-3-pentylurea?
1-[4-(dimethylamino)-6-oxo-1H-pyrimidin-5-yl]-3-pentylurea has a molecular weight of 267.33 g/mol, XLogP of 1.15, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)-6-oxo-1H-pyrimidin-5-yl]-3-pentylurea is sourced from PubChem (CID 135453909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).