N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(4-methylpiperidin-1-yl)acetamide

C19H33N5O3 — CID 8546315

IUPACN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(4-methylpiperidin-1-yl)acetamide
SMILESCCCCN(C(=O)CN1CCC(C)CC1)c1c(N)n(CCC)c(=O)[nH]c1=O
InChIInChI=1S/C19H33N5O3/c1-4-6-10-23(15(25)13-22-11-7-14(3)8-12-22)16-17(20)24(9-5-2)19(27)21-18(16)26/h14H,4-13,20H2,1-3H3,(H,21,26,27)
InChIKeyVHWADELQXOWTRD-UHFFFAOYSA-N
MW379.51 g/mol
LogP1.39
Rot. Bonds8

About N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(4-methylpiperidin-1-yl)acetamide

N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(4-methylpiperidin-1-yl)acetamide (PubChem CID 8546315) has the molecular formula C19H33N5O3 and a molecular weight of 379.51 g/mol. Its IUPAC name is N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(4-methylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(4-methylpiperidin-1-yl)acetamide
PubChem CID8546315
Molecular FormulaC19H33N5O3
Molecular Weight379.51 g/mol
Exact Mass379.26
IUPAC NameN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(4-methylpiperidin-1-yl)acetamide
SMILESCCCCN(C(=O)CN1CCC(C)CC1)c1c(N)n(CCC)c(=O)[nH]c1=O
InChIInChI=1S/C19H33N5O3/c1-4-6-10-23(15(25)13-22-11-7-14(3)8-12-22)16-17(20)24(9-5-2)19(27)21-18(16)26/h14H,4-13,20H2,1-3H3,(H,21,26,27)
InChIKeyVHWADELQXOWTRD-UHFFFAOYSA-N
XLogP1.39
TPSA104.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(4-methylpiperidin-1-yl)acetamide?
The IUPAC name of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(4-methylpiperidin-1-yl)acetamide (CID 8546315) is N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(4-methylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(4-methylpiperidin-1-yl)acetamide?
The canonical SMILES for N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(4-methylpiperidin-1-yl)acetamide is CCCCN(C(=O)CN1CCC(C)CC1)c1c(N)n(CCC)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(4-methylpiperidin-1-yl)acetamide?
The InChIKey is VHWADELQXOWTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5O3/c1-4-6-10-23(15(25)13-22-11-7-14(3)8-12-22)16-17(20)24(9-5-2)19(27)21-18(16)26/h14H,4-13,20H2,1-3H3,(H,21,26,27).
What are the key properties of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(4-methylpiperidin-1-yl)acetamide?
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(4-methylpiperidin-1-yl)acetamide has a molecular weight of 379.51 g/mol, XLogP of 1.39, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(4-methylpiperidin-1-yl)acetamide is sourced from PubChem (CID 8546315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).