1-(2-cyclopropylpyrimidin-5-yl)-3-[(1-methoxycyclobutyl)methyl]urea

C14H20N4O2 — CID 86785616

IUPAC1-(2-cyclopropylpyrimidin-5-yl)-3-[(1-methoxycyclobutyl)methyl]urea
SMILESCOC1(CNC(=O)Nc2cnc(C3CC3)nc2)CCC1
InChIInChI=1S/C14H20N4O2/c1-20-14(5-2-6-14)9-17-13(19)18-11-7-15-12(16-8-11)10-3-4-10/h7-8,10H,2-6,9H2,1H3,(H2,17,18,19)
InChIKeyWTUYRQRWWNZZOD-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.04
Rot. Bonds5

About 1-(2-cyclopropylpyrimidin-5-yl)-3-[(1-methoxycyclobutyl)methyl]urea

1-(2-cyclopropylpyrimidin-5-yl)-3-[(1-methoxycyclobutyl)methyl]urea (PubChem CID 86785616) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-(2-cyclopropylpyrimidin-5-yl)-3-[(1-methoxycyclobutyl)methyl]urea.

Molecular Properties

Compound Name1-(2-cyclopropylpyrimidin-5-yl)-3-[(1-methoxycyclobutyl)methyl]urea
PubChem CID86785616
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name1-(2-cyclopropylpyrimidin-5-yl)-3-[(1-methoxycyclobutyl)methyl]urea
SMILESCOC1(CNC(=O)Nc2cnc(C3CC3)nc2)CCC1
InChIInChI=1S/C14H20N4O2/c1-20-14(5-2-6-14)9-17-13(19)18-11-7-15-12(16-8-11)10-3-4-10/h7-8,10H,2-6,9H2,1H3,(H2,17,18,19)
InChIKeyWTUYRQRWWNZZOD-UHFFFAOYSA-N
XLogP2.04
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2-cyclopropylpyrimidin-5-yl)-3-[(1-methoxycyclobutyl)methyl]urea with MolForge

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Related Compounds

1-but-2-ynyl-3-(2-cyclopropylpyrimidin-5-yl)urea
CID 99789978
1-(2-cyclopropylpyrimidin-5-yl)-3-(2-hydroxypentyl)urea
CID 111474647
1-(2-cyclopropylpyrimidin-5-yl)-3-[2-(2-hydroxyethyl)pentyl]urea
CID 111474640
1-cyclopropyl-3-(2-cyclopropylpyrimidin-5-yl)urea
CID 71933502
1-[(1-methoxycyclobutyl)methyl]-3-(4-methyl-2-pyridinyl)urea
CID 75520786
1-(2-cyclopropylpyrimidin-5-yl)-3-thiophen-3-ylurea
CID 99833511
1-(2-cyclopropylpyrimidin-5-yl)-3-(1-hydroxypentan-3-yl)urea
CID 111453468
1-(2-cyclopropylpyrimidin-5-yl)-3-[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]urea
CID 126776918
1-(2-cyclopropylpyrimidin-5-yl)-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea
CID 111443293
methyl 2-[4-(5-methoxycarbonylpyrimidin-2-yl)cyclohexyl]pyrimidine-5-carboxylate
CID 170080453
1-(2-cyclopropylpyrimidin-5-yl)-3-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]urea
CID 71933501
1-(2-cyclopropylpyrimidin-5-yl)-3-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]urea
CID 111474644

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropylpyrimidin-5-yl)-3-[(1-methoxycyclobutyl)methyl]urea?
The IUPAC name of 1-(2-cyclopropylpyrimidin-5-yl)-3-[(1-methoxycyclobutyl)methyl]urea (CID 86785616) is 1-(2-cyclopropylpyrimidin-5-yl)-3-[(1-methoxycyclobutyl)methyl]urea.
What is the SMILES notation for 1-(2-cyclopropylpyrimidin-5-yl)-3-[(1-methoxycyclobutyl)methyl]urea?
The canonical SMILES for 1-(2-cyclopropylpyrimidin-5-yl)-3-[(1-methoxycyclobutyl)methyl]urea is COC1(CNC(=O)Nc2cnc(C3CC3)nc2)CCC1.
What is the InChIKey of 1-(2-cyclopropylpyrimidin-5-yl)-3-[(1-methoxycyclobutyl)methyl]urea?
The InChIKey is WTUYRQRWWNZZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-20-14(5-2-6-14)9-17-13(19)18-11-7-15-12(16-8-11)10-3-4-10/h7-8,10H,2-6,9H2,1H3,(H2,17,18,19).
What are the key properties of 1-(2-cyclopropylpyrimidin-5-yl)-3-[(1-methoxycyclobutyl)methyl]urea?
1-(2-cyclopropylpyrimidin-5-yl)-3-[(1-methoxycyclobutyl)methyl]urea has a molecular weight of 276.34 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropylpyrimidin-5-yl)-3-[(1-methoxycyclobutyl)methyl]urea is sourced from PubChem (CID 86785616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).