N-[2-(dimethylamino)ethyl]-N,6-dimethyl-2-(1-methylpiperidin-4-yl)pyrimidine-4-carboxamide

C17H29N5O — CID 95829488

IUPACN-[2-(dimethylamino)ethyl]-N,6-dimethyl-2-(1-methylpiperidin-4-yl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)N(C)CCN(C)C)nc(C2CCN(C)CC2)n1
InChIInChI=1S/C17H29N5O/c1-13-12-15(17(23)22(5)11-10-20(2)3)19-16(18-13)14-6-8-21(4)9-7-14/h12,14H,6-11H2,1-5H3
InChIKeyVKMJYQSTKGIPMZ-UHFFFAOYSA-N
MW319.45 g/mol
LogP1.23
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]-N,6-dimethyl-2-(1-methylpiperidin-4-yl)pyrimidine-4-carboxamide

N-[2-(dimethylamino)ethyl]-N,6-dimethyl-2-(1-methylpiperidin-4-yl)pyrimidine-4-carboxamide (PubChem CID 95829488) has the molecular formula C17H29N5O and a molecular weight of 319.45 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N,6-dimethyl-2-(1-methylpiperidin-4-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N,6-dimethyl-2-(1-methylpiperidin-4-yl)pyrimidine-4-carboxamide
PubChem CID95829488
Molecular FormulaC17H29N5O
Molecular Weight319.45 g/mol
Exact Mass319.24
IUPAC NameN-[2-(dimethylamino)ethyl]-N,6-dimethyl-2-(1-methylpiperidin-4-yl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)N(C)CCN(C)C)nc(C2CCN(C)CC2)n1
InChIInChI=1S/C17H29N5O/c1-13-12-15(17(23)22(5)11-10-20(2)3)19-16(18-13)14-6-8-21(4)9-7-14/h12,14H,6-11H2,1-5H3
InChIKeyVKMJYQSTKGIPMZ-UHFFFAOYSA-N
XLogP1.23
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N,6-dimethyl-2-(1-methylpiperidin-4-yl)pyrimidine-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N,6-dimethyl-2-(1-methylpiperidin-4-yl)pyrimidine-4-carboxamide (CID 95829488) is N-[2-(dimethylamino)ethyl]-N,6-dimethyl-2-(1-methylpiperidin-4-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N,6-dimethyl-2-(1-methylpiperidin-4-yl)pyrimidine-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N,6-dimethyl-2-(1-methylpiperidin-4-yl)pyrimidine-4-carboxamide is Cc1cc(C(=O)N(C)CCN(C)C)nc(C2CCN(C)CC2)n1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N,6-dimethyl-2-(1-methylpiperidin-4-yl)pyrimidine-4-carboxamide?
The InChIKey is VKMJYQSTKGIPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O/c1-13-12-15(17(23)22(5)11-10-20(2)3)19-16(18-13)14-6-8-21(4)9-7-14/h12,14H,6-11H2,1-5H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-N,6-dimethyl-2-(1-methylpiperidin-4-yl)pyrimidine-4-carboxamide?
N-[2-(dimethylamino)ethyl]-N,6-dimethyl-2-(1-methylpiperidin-4-yl)pyrimidine-4-carboxamide has a molecular weight of 319.45 g/mol, XLogP of 1.23, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N,6-dimethyl-2-(1-methylpiperidin-4-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 95829488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).