1-(dicyclopropylmethyl)-3-(6-methoxypyrimidin-4-yl)-1-methylurea

C14H20N4O2 — CID 84600483

IUPAC1-(dicyclopropylmethyl)-3-(6-methoxypyrimidin-4-yl)-1-methylurea
SMILESCOc1cc(NC(=O)N(C)C(C2CC2)C2CC2)ncn1
InChIInChI=1S/C14H20N4O2/c1-18(13(9-3-4-9)10-5-6-10)14(19)17-11-7-12(20-2)16-8-15-11/h7-10,13H,3-6H2,1-2H3,(H,15,16,17,19)
InChIKeyGLZVBLGVRKGQQQ-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.14
Rot. Bonds5

About 1-(dicyclopropylmethyl)-3-(6-methoxypyrimidin-4-yl)-1-methylurea

1-(dicyclopropylmethyl)-3-(6-methoxypyrimidin-4-yl)-1-methylurea (PubChem CID 84600483) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-(dicyclopropylmethyl)-3-(6-methoxypyrimidin-4-yl)-1-methylurea.

Molecular Properties

Compound Name1-(dicyclopropylmethyl)-3-(6-methoxypyrimidin-4-yl)-1-methylurea
PubChem CID84600483
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name1-(dicyclopropylmethyl)-3-(6-methoxypyrimidin-4-yl)-1-methylurea
SMILESCOc1cc(NC(=O)N(C)C(C2CC2)C2CC2)ncn1
InChIInChI=1S/C14H20N4O2/c1-18(13(9-3-4-9)10-5-6-10)14(19)17-11-7-12(20-2)16-8-15-11/h7-10,13H,3-6H2,1-2H3,(H,15,16,17,19)
InChIKeyGLZVBLGVRKGQQQ-UHFFFAOYSA-N
XLogP2.14
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(Cyclopropylmethyl)-3-(6-methoxypyrimidin-4-yl)-1-methylurea
CID 84600627
1-(2-Cyclopropylethyl)-3-(6-methoxypyrimidin-4-yl)-1-methylurea
CID 84600681
1-Butyl-3-(6-methoxypyrimidin-4-yl)-1-methylurea
CID 75454038
(4S)-N-(6-methoxypyrimidin-4-yl)-4-methylazepane-1-carboxamide
CID 97350296
(2R)-N-(6-methoxypyrimidin-4-yl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 164630411
3-(6-Methoxypyrimidin-4-yl)-1-methyl-1-(3,3,3-trifluoropropyl)urea
CID 75484499
N-(6-methoxypyrimidin-4-yl)-4-(trifluoromethyl)piperidine-1-carboxamide
CID 84601054
(4S)-N-(6-methoxypyrimidin-4-yl)-3,3-dimethyl-4-(trifluoromethyl)piperidine-1-carboxamide
CID 99836108
(4R)-N-(6-methoxypyrimidin-4-yl)-3,3-dimethyl-4-(trifluoromethyl)piperidine-1-carboxamide
CID 99836109
N-(6-methoxypyrimidin-4-yl)-3,3-dimethyl-4-(trifluoromethyl)piperidine-1-carboxamide
CID 121518001
1-(6-Methoxypyrimidin-4-yl)-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]urea
CID 132971396
N-{[4-fluoro-1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl}cyclopropanecarboxamide
CID 165432140

Frequently Asked Questions

What is the IUPAC name of 1-(dicyclopropylmethyl)-3-(6-methoxypyrimidin-4-yl)-1-methylurea?
The IUPAC name of 1-(dicyclopropylmethyl)-3-(6-methoxypyrimidin-4-yl)-1-methylurea (CID 84600483) is 1-(dicyclopropylmethyl)-3-(6-methoxypyrimidin-4-yl)-1-methylurea.
What is the SMILES notation for 1-(dicyclopropylmethyl)-3-(6-methoxypyrimidin-4-yl)-1-methylurea?
The canonical SMILES for 1-(dicyclopropylmethyl)-3-(6-methoxypyrimidin-4-yl)-1-methylurea is COc1cc(NC(=O)N(C)C(C2CC2)C2CC2)ncn1.
What is the InChIKey of 1-(dicyclopropylmethyl)-3-(6-methoxypyrimidin-4-yl)-1-methylurea?
The InChIKey is GLZVBLGVRKGQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-18(13(9-3-4-9)10-5-6-10)14(19)17-11-7-12(20-2)16-8-15-11/h7-10,13H,3-6H2,1-2H3,(H,15,16,17,19).
What are the key properties of 1-(dicyclopropylmethyl)-3-(6-methoxypyrimidin-4-yl)-1-methylurea?
1-(dicyclopropylmethyl)-3-(6-methoxypyrimidin-4-yl)-1-methylurea has a molecular weight of 276.34 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dicyclopropylmethyl)-3-(6-methoxypyrimidin-4-yl)-1-methylurea is sourced from PubChem (CID 84600483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).