N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(2,2-dimethyl-3-oxopiperazin-1-yl)acetamide

C19H32N6O4 — CID 56542725

IUPACN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(2,2-dimethyl-3-oxopiperazin-1-yl)acetamide
SMILESCCCCN(C(=O)CN1CCNC(=O)C1(C)C)c1c(N)n(CCC)c(=O)[nH]c1=O
InChIInChI=1S/C19H32N6O4/c1-5-7-10-24(13(26)12-23-11-8-21-17(28)19(23,3)4)14-15(20)25(9-6-2)18(29)22-16(14)27/h5-12,20H2,1-4H3,(H,21,28)(H,22,27,29)
InChIKeyVLWBTBBDTZSJDZ-UHFFFAOYSA-N
MW408.50 g/mol
LogP-0.13
Rot. Bonds8

About N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(2,2-dimethyl-3-oxopiperazin-1-yl)acetamide

N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(2,2-dimethyl-3-oxopiperazin-1-yl)acetamide (PubChem CID 56542725) has the molecular formula C19H32N6O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(2,2-dimethyl-3-oxopiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(2,2-dimethyl-3-oxopiperazin-1-yl)acetamide
PubChem CID56542725
Molecular FormulaC19H32N6O4
Molecular Weight408.50 g/mol
Exact Mass408.25
IUPAC NameN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(2,2-dimethyl-3-oxopiperazin-1-yl)acetamide
SMILESCCCCN(C(=O)CN1CCNC(=O)C1(C)C)c1c(N)n(CCC)c(=O)[nH]c1=O
InChIInChI=1S/C19H32N6O4/c1-5-7-10-24(13(26)12-23-11-8-21-17(28)19(23,3)4)14-15(20)25(9-6-2)18(29)22-16(14)27/h5-12,20H2,1-4H3,(H,21,28)(H,22,27,29)
InChIKeyVLWBTBBDTZSJDZ-UHFFFAOYSA-N
XLogP-0.13
TPSA133.53 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(2,2-dimethyl-3-oxopiperazin-1-yl)-N-ethylacetamide
CID 56542791
2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butylacetamide
CID 2536558
[2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-butylamino]-2-oxoethyl] 2-methylpropanoate
CID 7782512
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-4-chlorobutanamide
CID 2113269
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 46820487
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butylpentanamide
CID 31491993
[2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-butylamino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
CID 4856558
[2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-butylamino]-2-oxoethyl] pyrrolidine-1-carbodithioate
CID 7606740
[2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-butylamino]-2-oxoethyl] 1-methylpyrazole-4-carboxylate
CID 16575793
1-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-1-butyl-3-ethylurea
CID 9438137
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-3-methylbut-2-enamide
CID 30659872
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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-(2,2-dimethyl-3-oxopiperazin-1-yl)acetamide?
The IUPAC name of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(2,2-dimethyl-3-oxopiperazin-1-yl)acetamide (CID 56542725) is N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(2,2-dimethyl-3-oxopiperazin-1-yl)acetamide.
What is the SMILES notation for N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(2,2-dimethyl-3-oxopiperazin-1-yl)acetamide?
The canonical SMILES for N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(2,2-dimethyl-3-oxopiperazin-1-yl)acetamide is CCCCN(C(=O)CN1CCNC(=O)C1(C)C)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-(2,2-dimethyl-3-oxopiperazin-1-yl)acetamide?
The InChIKey is VLWBTBBDTZSJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N6O4/c1-5-7-10-24(13(26)12-23-11-8-21-17(28)19(23,3)4)14-15(20)25(9-6-2)18(29)22-16(14)27/h5-12,20H2,1-4H3,(H,21,28)(H,22,27,29).
What are the key properties of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(2,2-dimethyl-3-oxopiperazin-1-yl)acetamide?
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(2,2-dimethyl-3-oxopiperazin-1-yl)acetamide has a molecular weight of 408.50 g/mol, XLogP of -0.13, 8 rotatable bonds, 3 hydrogen bond donors, and 7 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-(2,2-dimethyl-3-oxopiperazin-1-yl)acetamide is sourced from PubChem (CID 56542725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).