1-[2-(dimethylamino)-6-methyl-3-pyridinyl]-3-[[4-(hydroxymethyl)-2,6-dimethylphenyl]methyl]urea

C19H26N4O2 — CID 138028018

IUPAC1-[2-(dimethylamino)-6-methyl-3-pyridinyl]-3-[[4-(hydroxymethyl)-2,6-dimethylphenyl]methyl]urea
SMILESCc1ccc(NC(=O)NCc2c(C)cc(CO)cc2C)c(N(C)C)n1
InChIInChI=1S/C19H26N4O2/c1-12-8-15(11-24)9-13(2)16(12)10-20-19(25)22-17-7-6-14(3)21-18(17)23(4)5/h6-9,24H,10-11H2,1-5H3,(H2,20,22,25)
InChIKeyUGRSSQBLKBVZQZ-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.89
Rot. Bonds5

About 1-[2-(dimethylamino)-6-methyl-3-pyridinyl]-3-[[4-(hydroxymethyl)-2,6-dimethylphenyl]methyl]urea

1-[2-(dimethylamino)-6-methyl-3-pyridinyl]-3-[[4-(hydroxymethyl)-2,6-dimethylphenyl]methyl]urea (PubChem CID 138028018) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-6-methyl-3-pyridinyl]-3-[[4-(hydroxymethyl)-2,6-dimethylphenyl]methyl]urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)-6-methyl-3-pyridinyl]-3-[[4-(hydroxymethyl)-2,6-dimethylphenyl]methyl]urea
PubChem CID138028018
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name1-[2-(dimethylamino)-6-methyl-3-pyridinyl]-3-[[4-(hydroxymethyl)-2,6-dimethylphenyl]methyl]urea
SMILESCc1ccc(NC(=O)NCc2c(C)cc(CO)cc2C)c(N(C)C)n1
InChIInChI=1S/C19H26N4O2/c1-12-8-15(11-24)9-13(2)16(12)10-20-19(25)22-17-7-6-14(3)21-18(17)23(4)5/h6-9,24H,10-11H2,1-5H3,(H2,20,22,25)
InChIKeyUGRSSQBLKBVZQZ-UHFFFAOYSA-N
XLogP2.89
TPSA77.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-6-methyl-3-pyridinyl]-3-[[4-(hydroxymethyl)-2,6-dimethylphenyl]methyl]urea?
The IUPAC name of 1-[2-(dimethylamino)-6-methyl-3-pyridinyl]-3-[[4-(hydroxymethyl)-2,6-dimethylphenyl]methyl]urea (CID 138028018) is 1-[2-(dimethylamino)-6-methyl-3-pyridinyl]-3-[[4-(hydroxymethyl)-2,6-dimethylphenyl]methyl]urea.
What is the SMILES notation for 1-[2-(dimethylamino)-6-methyl-3-pyridinyl]-3-[[4-(hydroxymethyl)-2,6-dimethylphenyl]methyl]urea?
The canonical SMILES for 1-[2-(dimethylamino)-6-methyl-3-pyridinyl]-3-[[4-(hydroxymethyl)-2,6-dimethylphenyl]methyl]urea is Cc1ccc(NC(=O)NCc2c(C)cc(CO)cc2C)c(N(C)C)n1.
What is the InChIKey of 1-[2-(dimethylamino)-6-methyl-3-pyridinyl]-3-[[4-(hydroxymethyl)-2,6-dimethylphenyl]methyl]urea?
The InChIKey is UGRSSQBLKBVZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-12-8-15(11-24)9-13(2)16(12)10-20-19(25)22-17-7-6-14(3)21-18(17)23(4)5/h6-9,24H,10-11H2,1-5H3,(H2,20,22,25).
What are the key properties of 1-[2-(dimethylamino)-6-methyl-3-pyridinyl]-3-[[4-(hydroxymethyl)-2,6-dimethylphenyl]methyl]urea?
1-[2-(dimethylamino)-6-methyl-3-pyridinyl]-3-[[4-(hydroxymethyl)-2,6-dimethylphenyl]methyl]urea has a molecular weight of 342.44 g/mol, XLogP of 2.89, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-6-methyl-3-pyridinyl]-3-[[4-(hydroxymethyl)-2,6-dimethylphenyl]methyl]urea is sourced from PubChem (CID 138028018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).