1-[4-(dimethylamino)pyrimidin-5-yl]-N-propan-2-ylpiperidine-4-carboxamide

C15H25N5O — CID 53165534

IUPAC1-[4-(dimethylamino)pyrimidin-5-yl]-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)NC(=O)C1CCN(c2cncnc2N(C)C)CC1
InChIInChI=1S/C15H25N5O/c1-11(2)18-15(21)12-5-7-20(8-6-12)13-9-16-10-17-14(13)19(3)4/h9-12H,5-8H2,1-4H3,(H,18,21)
InChIKeyQSINCRDWJKEINI-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.28
Rot. Bonds4

About 1-[4-(dimethylamino)pyrimidin-5-yl]-N-propan-2-ylpiperidine-4-carboxamide

1-[4-(dimethylamino)pyrimidin-5-yl]-N-propan-2-ylpiperidine-4-carboxamide (PubChem CID 53165534) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is 1-[4-(dimethylamino)pyrimidin-5-yl]-N-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(dimethylamino)pyrimidin-5-yl]-N-propan-2-ylpiperidine-4-carboxamide
PubChem CID53165534
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name1-[4-(dimethylamino)pyrimidin-5-yl]-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)NC(=O)C1CCN(c2cncnc2N(C)C)CC1
InChIInChI=1S/C15H25N5O/c1-11(2)18-15(21)12-5-7-20(8-6-12)13-9-16-10-17-14(13)19(3)4/h9-12H,5-8H2,1-4H3,(H,18,21)
InChIKeyQSINCRDWJKEINI-UHFFFAOYSA-N
XLogP1.28
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)pyrimidin-5-yl]-N-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[4-(dimethylamino)pyrimidin-5-yl]-N-propan-2-ylpiperidine-4-carboxamide (CID 53165534) is 1-[4-(dimethylamino)pyrimidin-5-yl]-N-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(dimethylamino)pyrimidin-5-yl]-N-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[4-(dimethylamino)pyrimidin-5-yl]-N-propan-2-ylpiperidine-4-carboxamide is CC(C)NC(=O)C1CCN(c2cncnc2N(C)C)CC1.
What is the InChIKey of 1-[4-(dimethylamino)pyrimidin-5-yl]-N-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is QSINCRDWJKEINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-11(2)18-15(21)12-5-7-20(8-6-12)13-9-16-10-17-14(13)19(3)4/h9-12H,5-8H2,1-4H3,(H,18,21).
What are the key properties of 1-[4-(dimethylamino)pyrimidin-5-yl]-N-propan-2-ylpiperidine-4-carboxamide?
1-[4-(dimethylamino)pyrimidin-5-yl]-N-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 291.40 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)pyrimidin-5-yl]-N-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 53165534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).