[6-methyl-2,4-di(propan-2-yl)-3-pyridinyl]urea

C13H21N3O — CID 153395932

IUPAC[6-methyl-2,4-di(propan-2-yl)-3-pyridinyl]urea
SMILESCc1cc(C(C)C)c(NC(N)=O)c(C(C)C)n1
InChIInChI=1S/C13H21N3O/c1-7(2)10-6-9(5)15-11(8(3)4)12(10)16-13(14)17/h6-8H,1-5H3,(H3,14,16,17)
InChIKeyFDSMDMASRCNFED-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.13
Rot. Bonds3

About [6-methyl-2,4-di(propan-2-yl)-3-pyridinyl]urea

[6-methyl-2,4-di(propan-2-yl)-3-pyridinyl]urea (PubChem CID 153395932) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is [6-methyl-2,4-di(propan-2-yl)-3-pyridinyl]urea.

Molecular Properties

Compound Name[6-methyl-2,4-di(propan-2-yl)-3-pyridinyl]urea
PubChem CID153395932
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name[6-methyl-2,4-di(propan-2-yl)-3-pyridinyl]urea
SMILESCc1cc(C(C)C)c(NC(N)=O)c(C(C)C)n1
InChIInChI=1S/C13H21N3O/c1-7(2)10-6-9(5)15-11(8(3)4)12(10)16-13(14)17/h6-8H,1-5H3,(H3,14,16,17)
InChIKeyFDSMDMASRCNFED-UHFFFAOYSA-N
XLogP3.13
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [6-methyl-2,4-di(propan-2-yl)-3-pyridinyl]urea?
The IUPAC name of [6-methyl-2,4-di(propan-2-yl)-3-pyridinyl]urea (CID 153395932) is [6-methyl-2,4-di(propan-2-yl)-3-pyridinyl]urea.
What is the SMILES notation for [6-methyl-2,4-di(propan-2-yl)-3-pyridinyl]urea?
The canonical SMILES for [6-methyl-2,4-di(propan-2-yl)-3-pyridinyl]urea is Cc1cc(C(C)C)c(NC(N)=O)c(C(C)C)n1.
What is the InChIKey of [6-methyl-2,4-di(propan-2-yl)-3-pyridinyl]urea?
The InChIKey is FDSMDMASRCNFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-7(2)10-6-9(5)15-11(8(3)4)12(10)16-13(14)17/h6-8H,1-5H3,(H3,14,16,17).
What are the key properties of [6-methyl-2,4-di(propan-2-yl)-3-pyridinyl]urea?
[6-methyl-2,4-di(propan-2-yl)-3-pyridinyl]urea has a molecular weight of 235.33 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-2,4-di(propan-2-yl)-3-pyridinyl]urea is sourced from PubChem (CID 153395932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).