1-(4,6-dimethyl-2-pyridinyl)-1-[2-(dipropylamino)ethyl]-3,3-dimethylurea

C18H32N4O — CID 12857641

IUPAC1-(4,6-dimethyl-2-pyridinyl)-1-[2-(dipropylamino)ethyl]-3,3-dimethylurea
SMILESCCCN(CCC)CCN(C(=O)N(C)C)c1cc(C)cc(C)n1
InChIInChI=1S/C18H32N4O/c1-7-9-21(10-8-2)11-12-22(18(23)20(5)6)17-14-15(3)13-16(4)19-17/h13-14H,7-12H2,1-6H3
InChIKeyULJZKOHCQLMBLX-UHFFFAOYSA-N
MW320.48 g/mol
LogP3.31
Rot. Bonds8

About 1-(4,6-dimethyl-2-pyridinyl)-1-[2-(dipropylamino)ethyl]-3,3-dimethylurea

1-(4,6-dimethyl-2-pyridinyl)-1-[2-(dipropylamino)ethyl]-3,3-dimethylurea (PubChem CID 12857641) has the molecular formula C18H32N4O and a molecular weight of 320.48 g/mol. Its IUPAC name is 1-(4,6-dimethyl-2-pyridinyl)-1-[2-(dipropylamino)ethyl]-3,3-dimethylurea.

Molecular Properties

Compound Name1-(4,6-dimethyl-2-pyridinyl)-1-[2-(dipropylamino)ethyl]-3,3-dimethylurea
PubChem CID12857641
Molecular FormulaC18H32N4O
Molecular Weight320.48 g/mol
Exact Mass320.26
IUPAC Name1-(4,6-dimethyl-2-pyridinyl)-1-[2-(dipropylamino)ethyl]-3,3-dimethylurea
SMILESCCCN(CCC)CCN(C(=O)N(C)C)c1cc(C)cc(C)n1
InChIInChI=1S/C18H32N4O/c1-7-9-21(10-8-2)11-12-22(18(23)20(5)6)17-14-15(3)13-16(4)19-17/h13-14H,7-12H2,1-6H3
InChIKeyULJZKOHCQLMBLX-UHFFFAOYSA-N
XLogP3.31
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethyl-2-pyridinyl)-1-[2-(dipropylamino)ethyl]-3,3-dimethylurea?
The IUPAC name of 1-(4,6-dimethyl-2-pyridinyl)-1-[2-(dipropylamino)ethyl]-3,3-dimethylurea (CID 12857641) is 1-(4,6-dimethyl-2-pyridinyl)-1-[2-(dipropylamino)ethyl]-3,3-dimethylurea.
What is the SMILES notation for 1-(4,6-dimethyl-2-pyridinyl)-1-[2-(dipropylamino)ethyl]-3,3-dimethylurea?
The canonical SMILES for 1-(4,6-dimethyl-2-pyridinyl)-1-[2-(dipropylamino)ethyl]-3,3-dimethylurea is CCCN(CCC)CCN(C(=O)N(C)C)c1cc(C)cc(C)n1.
What is the InChIKey of 1-(4,6-dimethyl-2-pyridinyl)-1-[2-(dipropylamino)ethyl]-3,3-dimethylurea?
The InChIKey is ULJZKOHCQLMBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O/c1-7-9-21(10-8-2)11-12-22(18(23)20(5)6)17-14-15(3)13-16(4)19-17/h13-14H,7-12H2,1-6H3.
What are the key properties of 1-(4,6-dimethyl-2-pyridinyl)-1-[2-(dipropylamino)ethyl]-3,3-dimethylurea?
1-(4,6-dimethyl-2-pyridinyl)-1-[2-(dipropylamino)ethyl]-3,3-dimethylurea has a molecular weight of 320.48 g/mol, XLogP of 3.31, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethyl-2-pyridinyl)-1-[2-(dipropylamino)ethyl]-3,3-dimethylurea is sourced from PubChem (CID 12857641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).