N-[[6-(dimethylamino)-2-(1-propanoylpiperidin-2-yl)pyrimidin-4-yl]methyl]-N-methylacetamide

C18H29N5O2 — CID 110259589

IUPACN-[[6-(dimethylamino)-2-(1-propanoylpiperidin-2-yl)pyrimidin-4-yl]methyl]-N-methylacetamide
SMILESCCC(=O)N1CCCCC1c1nc(CN(C)C(C)=O)cc(N(C)C)n1
InChIInChI=1S/C18H29N5O2/c1-6-17(25)23-10-8-7-9-15(23)18-19-14(12-22(5)13(2)24)11-16(20-18)21(3)4/h11,15H,6-10,12H2,1-5H3
InChIKeyHRTSCVSIINNFPV-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.98
Rot. Bonds5

About N-[[6-(dimethylamino)-2-(1-propanoylpiperidin-2-yl)pyrimidin-4-yl]methyl]-N-methylacetamide

N-[[6-(dimethylamino)-2-(1-propanoylpiperidin-2-yl)pyrimidin-4-yl]methyl]-N-methylacetamide (PubChem CID 110259589) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[[6-(dimethylamino)-2-(1-propanoylpiperidin-2-yl)pyrimidin-4-yl]methyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[[6-(dimethylamino)-2-(1-propanoylpiperidin-2-yl)pyrimidin-4-yl]methyl]-N-methylacetamide
PubChem CID110259589
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC NameN-[[6-(dimethylamino)-2-(1-propanoylpiperidin-2-yl)pyrimidin-4-yl]methyl]-N-methylacetamide
SMILESCCC(=O)N1CCCCC1c1nc(CN(C)C(C)=O)cc(N(C)C)n1
InChIInChI=1S/C18H29N5O2/c1-6-17(25)23-10-8-7-9-15(23)18-19-14(12-22(5)13(2)24)11-16(20-18)21(3)4/h11,15H,6-10,12H2,1-5H3
InChIKeyHRTSCVSIINNFPV-UHFFFAOYSA-N
XLogP1.98
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(dimethylamino)-2-(1-propanoylpiperidin-2-yl)pyrimidin-4-yl]methyl]-N-methylacetamide?
The IUPAC name of N-[[6-(dimethylamino)-2-(1-propanoylpiperidin-2-yl)pyrimidin-4-yl]methyl]-N-methylacetamide (CID 110259589) is N-[[6-(dimethylamino)-2-(1-propanoylpiperidin-2-yl)pyrimidin-4-yl]methyl]-N-methylacetamide.
What is the SMILES notation for N-[[6-(dimethylamino)-2-(1-propanoylpiperidin-2-yl)pyrimidin-4-yl]methyl]-N-methylacetamide?
The canonical SMILES for N-[[6-(dimethylamino)-2-(1-propanoylpiperidin-2-yl)pyrimidin-4-yl]methyl]-N-methylacetamide is CCC(=O)N1CCCCC1c1nc(CN(C)C(C)=O)cc(N(C)C)n1.
What is the InChIKey of N-[[6-(dimethylamino)-2-(1-propanoylpiperidin-2-yl)pyrimidin-4-yl]methyl]-N-methylacetamide?
The InChIKey is HRTSCVSIINNFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-6-17(25)23-10-8-7-9-15(23)18-19-14(12-22(5)13(2)24)11-16(20-18)21(3)4/h11,15H,6-10,12H2,1-5H3.
What are the key properties of N-[[6-(dimethylamino)-2-(1-propanoylpiperidin-2-yl)pyrimidin-4-yl]methyl]-N-methylacetamide?
N-[[6-(dimethylamino)-2-(1-propanoylpiperidin-2-yl)pyrimidin-4-yl]methyl]-N-methylacetamide has a molecular weight of 347.46 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(dimethylamino)-2-(1-propanoylpiperidin-2-yl)pyrimidin-4-yl]methyl]-N-methylacetamide is sourced from PubChem (CID 110259589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).