1-[(2-aminopyrimidin-5-yl)methyl]-1-methyl-3-(2,4,6-triethylphenyl)urea

C19H27N5O — CID 118773828

IUPAC1-[(2-aminopyrimidin-5-yl)methyl]-1-methyl-3-(2,4,6-triethylphenyl)urea
SMILESCCc1cc(CC)c(NC(=O)N(C)Cc2cnc(N)nc2)c(CC)c1
InChIInChI=1S/C19H27N5O/c1-5-13-8-15(6-2)17(16(7-3)9-13)23-19(25)24(4)12-14-10-21-18(20)22-11-14/h8-11H,5-7,12H2,1-4H3,(H,23,25)(H2,20,21,22)
InChIKeyKFEUFXDUVKTIMZ-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.41
Rot. Bonds6

About 1-[(2-aminopyrimidin-5-yl)methyl]-1-methyl-3-(2,4,6-triethylphenyl)urea

1-[(2-aminopyrimidin-5-yl)methyl]-1-methyl-3-(2,4,6-triethylphenyl)urea (PubChem CID 118773828) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is 1-[(2-aminopyrimidin-5-yl)methyl]-1-methyl-3-(2,4,6-triethylphenyl)urea.

Molecular Properties

Compound Name1-[(2-aminopyrimidin-5-yl)methyl]-1-methyl-3-(2,4,6-triethylphenyl)urea
PubChem CID118773828
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name1-[(2-aminopyrimidin-5-yl)methyl]-1-methyl-3-(2,4,6-triethylphenyl)urea
SMILESCCc1cc(CC)c(NC(=O)N(C)Cc2cnc(N)nc2)c(CC)c1
InChIInChI=1S/C19H27N5O/c1-5-13-8-15(6-2)17(16(7-3)9-13)23-19(25)24(4)12-14-10-21-18(20)22-11-14/h8-11H,5-7,12H2,1-4H3,(H,23,25)(H2,20,21,22)
InChIKeyKFEUFXDUVKTIMZ-UHFFFAOYSA-N
XLogP3.41
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-aminopyrimidin-5-yl)methyl]-1-methyl-3-(2,4,6-triethylphenyl)urea?
The IUPAC name of 1-[(2-aminopyrimidin-5-yl)methyl]-1-methyl-3-(2,4,6-triethylphenyl)urea (CID 118773828) is 1-[(2-aminopyrimidin-5-yl)methyl]-1-methyl-3-(2,4,6-triethylphenyl)urea.
What is the SMILES notation for 1-[(2-aminopyrimidin-5-yl)methyl]-1-methyl-3-(2,4,6-triethylphenyl)urea?
The canonical SMILES for 1-[(2-aminopyrimidin-5-yl)methyl]-1-methyl-3-(2,4,6-triethylphenyl)urea is CCc1cc(CC)c(NC(=O)N(C)Cc2cnc(N)nc2)c(CC)c1.
What is the InChIKey of 1-[(2-aminopyrimidin-5-yl)methyl]-1-methyl-3-(2,4,6-triethylphenyl)urea?
The InChIKey is KFEUFXDUVKTIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-5-13-8-15(6-2)17(16(7-3)9-13)23-19(25)24(4)12-14-10-21-18(20)22-11-14/h8-11H,5-7,12H2,1-4H3,(H,23,25)(H2,20,21,22).
What are the key properties of 1-[(2-aminopyrimidin-5-yl)methyl]-1-methyl-3-(2,4,6-triethylphenyl)urea?
1-[(2-aminopyrimidin-5-yl)methyl]-1-methyl-3-(2,4,6-triethylphenyl)urea has a molecular weight of 341.46 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-aminopyrimidin-5-yl)methyl]-1-methyl-3-(2,4,6-triethylphenyl)urea is sourced from PubChem (CID 118773828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).