3-(dicyclohexylmethyl)-1H-pyrimidine-2,4-dione

C17H26N2O2 — CID 90968681

IUPAC3-(dicyclohexylmethyl)-1H-pyrimidine-2,4-dione
SMILESO=c1cc[nH]c(=O)n1C(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C17H26N2O2/c20-15-11-12-18-17(21)19(15)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h11-14,16H,1-10H2,(H,18,21)
InChIKeyZALOYNUPVRFWEJ-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.24
Rot. Bonds3

About 3-(dicyclohexylmethyl)-1H-pyrimidine-2,4-dione

3-(dicyclohexylmethyl)-1H-pyrimidine-2,4-dione (PubChem CID 90968681) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-(dicyclohexylmethyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(dicyclohexylmethyl)-1H-pyrimidine-2,4-dione
PubChem CID90968681
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3-(dicyclohexylmethyl)-1H-pyrimidine-2,4-dione
SMILESO=c1cc[nH]c(=O)n1C(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C17H26N2O2/c20-15-11-12-18-17(21)19(15)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h11-14,16H,1-10H2,(H,18,21)
InChIKeyZALOYNUPVRFWEJ-UHFFFAOYSA-N
XLogP3.24
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-i-Propyl-1-adamantyl)uracil
CID 129781599
Adamantyluracil
CID 129870578
5-Amino-1,3-bis(cyclohexylmethyl)pyrimidine-2,4-dione
CID 19071298
6-Amino-1,3-bis(2-cyclohexylethyl)pyrimidine-2,4-dione
CID 19071301
6-Amino-1,3-bis(cyclohexylmethyl)uracil
CID 22244971
1-(Cyclohexylmethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 63812367
2,4-dioxo-N-[(4-propylcyclohexyl)methyl]pyrimidine-1-carboxamide
CID 72548978
N-(4-cyclohexylbutyl)-2,4-dioxopyrimidine-1-carboxamide
CID 72549206
6-[[(1S)-1-cyclohexylethyl]amino]-3-propan-2-yl-1H-pyrimidine-2,4-dione
CID 86345957
3-(Cyclohexylmethyl)pyrimidine-2,4(1H,3H)-dione
CID 103612036
3-(2-ethylhexyl)-1H-pyrimidine-2,4-dione
CID 107104037
6-(1-cyclohexylethylamino)-3-propan-2-yl-1H-pyrimidine-2,4-dione
CID 117762178

Frequently Asked Questions

What is the IUPAC name of 3-(dicyclohexylmethyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-(dicyclohexylmethyl)-1H-pyrimidine-2,4-dione (CID 90968681) is 3-(dicyclohexylmethyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-(dicyclohexylmethyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-(dicyclohexylmethyl)-1H-pyrimidine-2,4-dione is O=c1cc[nH]c(=O)n1C(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 3-(dicyclohexylmethyl)-1H-pyrimidine-2,4-dione?
The InChIKey is ZALOYNUPVRFWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c20-15-11-12-18-17(21)19(15)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h11-14,16H,1-10H2,(H,18,21).
What are the key properties of 3-(dicyclohexylmethyl)-1H-pyrimidine-2,4-dione?
3-(dicyclohexylmethyl)-1H-pyrimidine-2,4-dione has a molecular weight of 290.41 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dicyclohexylmethyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 90968681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).