N-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]cyclobutanecarboxamide

C16H25N5O — CID 53185762

IUPACN-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]cyclobutanecarboxamide
SMILESCN(C)c1cc(N2CCCC(NC(=O)C3CCC3)C2)ncn1
InChIInChI=1S/C16H25N5O/c1-20(2)14-9-15(18-11-17-14)21-8-4-7-13(10-21)19-16(22)12-5-3-6-12/h9,11-13H,3-8,10H2,1-2H3,(H,19,22)
InChIKeyGJTYVDBLWWVLCS-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.43
Rot. Bonds4

About N-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]cyclobutanecarboxamide

N-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]cyclobutanecarboxamide (PubChem CID 53185762) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is N-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]cyclobutanecarboxamide
PubChem CID53185762
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC NameN-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]cyclobutanecarboxamide
SMILESCN(C)c1cc(N2CCCC(NC(=O)C3CCC3)C2)ncn1
InChIInChI=1S/C16H25N5O/c1-20(2)14-9-15(18-11-17-14)21-8-4-7-13(10-21)19-16(22)12-5-3-6-12/h9,11-13H,3-8,10H2,1-2H3,(H,19,22)
InChIKeyGJTYVDBLWWVLCS-UHFFFAOYSA-N
XLogP1.43
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]cyclobutanecarboxamide?
The IUPAC name of N-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]cyclobutanecarboxamide (CID 53185762) is N-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]cyclobutanecarboxamide is CN(C)c1cc(N2CCCC(NC(=O)C3CCC3)C2)ncn1.
What is the InChIKey of N-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]cyclobutanecarboxamide?
The InChIKey is GJTYVDBLWWVLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O/c1-20(2)14-9-15(18-11-17-14)21-8-4-7-13(10-21)19-16(22)12-5-3-6-12/h9,11-13H,3-8,10H2,1-2H3,(H,19,22).
What are the key properties of N-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]cyclobutanecarboxamide?
N-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]cyclobutanecarboxamide has a molecular weight of 303.41 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]cyclobutanecarboxamide is sourced from PubChem (CID 53185762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).