1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-3-propylurea

C15H25N5O — CID 45106456

IUPAC1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-3-propylurea
SMILESCCCNC(=O)NC1CCN(c2nc(C)cc(C)n2)CC1
InChIInChI=1S/C15H25N5O/c1-4-7-16-15(21)19-13-5-8-20(9-6-13)14-17-11(2)10-12(3)18-14/h10,13H,4-9H2,1-3H3,(H2,16,19,21)
InChIKeySUWZPZAXSDFOAU-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.77
Rot. Bonds4

About 1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-3-propylurea

1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-3-propylurea (PubChem CID 45106456) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is 1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-3-propylurea.

Molecular Properties

Compound Name1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-3-propylurea
PubChem CID45106456
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-3-propylurea
SMILESCCCNC(=O)NC1CCN(c2nc(C)cc(C)n2)CC1
InChIInChI=1S/C15H25N5O/c1-4-7-16-15(21)19-13-5-8-20(9-6-13)14-17-11(2)10-12(3)18-14/h10,13H,4-9H2,1-3H3,(H2,16,19,21)
InChIKeySUWZPZAXSDFOAU-UHFFFAOYSA-N
XLogP1.77
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-3-propylurea?
The IUPAC name of 1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-3-propylurea (CID 45106456) is 1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-3-propylurea.
What is the SMILES notation for 1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-3-propylurea?
The canonical SMILES for 1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-3-propylurea is CCCNC(=O)NC1CCN(c2nc(C)cc(C)n2)CC1.
What is the InChIKey of 1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-3-propylurea?
The InChIKey is SUWZPZAXSDFOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-4-7-16-15(21)19-13-5-8-20(9-6-13)14-17-11(2)10-12(3)18-14/h10,13H,4-9H2,1-3H3,(H2,16,19,21).
What are the key properties of 1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-3-propylurea?
1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-3-propylurea has a molecular weight of 291.40 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-3-propylurea is sourced from PubChem (CID 45106456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).