1-[2-(hydroxymethyl)-2-methylchromen-6-yl]-3-(5-methyl-2-pyridinyl)urea

C18H19N3O3 — CID 142698908

IUPAC1-[2-(hydroxymethyl)-2-methylchromen-6-yl]-3-(5-methyl-2-pyridinyl)urea
SMILESCc1ccc(NC(=O)Nc2ccc3c(c2)C=CC(C)(CO)O3)nc1
InChIInChI=1S/C18H19N3O3/c1-12-3-6-16(19-10-12)21-17(23)20-14-4-5-15-13(9-14)7-8-18(2,11-22)24-15/h3-10,22H,11H2,1-2H3,(H2,19,20,21,23)
InChIKeyMHXAKXZEGHZKHX-UHFFFAOYSA-N
MW325.37 g/mol
LogP3.19
Rot. Bonds3

About 1-[2-(hydroxymethyl)-2-methylchromen-6-yl]-3-(5-methyl-2-pyridinyl)urea

1-[2-(hydroxymethyl)-2-methylchromen-6-yl]-3-(5-methyl-2-pyridinyl)urea (PubChem CID 142698908) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)-2-methylchromen-6-yl]-3-(5-methyl-2-pyridinyl)urea.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)-2-methylchromen-6-yl]-3-(5-methyl-2-pyridinyl)urea
PubChem CID142698908
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name1-[2-(hydroxymethyl)-2-methylchromen-6-yl]-3-(5-methyl-2-pyridinyl)urea
SMILESCc1ccc(NC(=O)Nc2ccc3c(c2)C=CC(C)(CO)O3)nc1
InChIInChI=1S/C18H19N3O3/c1-12-3-6-16(19-10-12)21-17(23)20-14-4-5-15-13(9-14)7-8-18(2,11-22)24-15/h3-10,22H,11H2,1-2H3,(H2,19,20,21,23)
InChIKeyMHXAKXZEGHZKHX-UHFFFAOYSA-N
XLogP3.19
TPSA83.48 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(hydroxymethyl)-2-methylchromen-6-yl]-3-pyridin-3-ylurea
CID 142698899
1-benzyl-3-[2-(methoxymethyl)-2-methylchromen-6-yl]urea
CID 46182038
1-(3,5-dihydroxyphenyl)-3-(5-methyl-2-pyridinyl)urea
CID 108895651
1-(4-fluorophenyl)-3-[2-methyl-2-(phenylmethoxymethyl)chromen-6-yl]urea
CID 46182207
1-(4-tert-butylphenyl)-3-(5-methyl-2-pyridinyl)urea
CID 108884929
[3-[(5-methyl-2-pyridinyl)carbamoylamino]phenyl] acetate
CID 108865397
1-(5-methyl-2-pyridinyl)-3-(3-nitrophenyl)urea
CID 971660
1-(3H-benzimidazol-5-yl)-3-(5-methyl-2-pyridinyl)urea
CID 108886074
1-[3-(1-hydroxyethyl)phenyl]-3-(5-methyl-2-pyridinyl)urea
CID 61346275
1-(4-fluorophenyl)-3-[2-[(4-methoxyphenyl)methoxymethyl]-2-methylchromen-6-yl]urea
CID 46182294
N-(5-methyl-2-pyridinyl)-2-sulfanylacetamide
CID 83773687
[6-[(2-fluorobenzoyl)amino]-2-methylchromen-2-yl]methyl benzoate
CID 11502583

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)-2-methylchromen-6-yl]-3-(5-methyl-2-pyridinyl)urea?
The IUPAC name of 1-[2-(hydroxymethyl)-2-methylchromen-6-yl]-3-(5-methyl-2-pyridinyl)urea (CID 142698908) is 1-[2-(hydroxymethyl)-2-methylchromen-6-yl]-3-(5-methyl-2-pyridinyl)urea.
What is the SMILES notation for 1-[2-(hydroxymethyl)-2-methylchromen-6-yl]-3-(5-methyl-2-pyridinyl)urea?
The canonical SMILES for 1-[2-(hydroxymethyl)-2-methylchromen-6-yl]-3-(5-methyl-2-pyridinyl)urea is Cc1ccc(NC(=O)Nc2ccc3c(c2)C=CC(C)(CO)O3)nc1.
What is the InChIKey of 1-[2-(hydroxymethyl)-2-methylchromen-6-yl]-3-(5-methyl-2-pyridinyl)urea?
The InChIKey is MHXAKXZEGHZKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-12-3-6-16(19-10-12)21-17(23)20-14-4-5-15-13(9-14)7-8-18(2,11-22)24-15/h3-10,22H,11H2,1-2H3,(H2,19,20,21,23).
What are the key properties of 1-[2-(hydroxymethyl)-2-methylchromen-6-yl]-3-(5-methyl-2-pyridinyl)urea?
1-[2-(hydroxymethyl)-2-methylchromen-6-yl]-3-(5-methyl-2-pyridinyl)urea has a molecular weight of 325.37 g/mol, XLogP of 3.19, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)-2-methylchromen-6-yl]-3-(5-methyl-2-pyridinyl)urea is sourced from PubChem (CID 142698908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).