N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(azocan-1-ium-1-yl)-N-ethylacetamide

C19H34N5O3+ — CID 8679815

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(azocan-1-ium-1-yl)-N-ethylacetamide
SMILESCCCCn1c(N)c(N(CC)C(=O)C[NH+]2CCCCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C19H33N5O3/c1-3-5-13-24-17(20)16(18(26)21-19(24)27)23(4-2)15(25)14-22-11-9-7-6-8-10-12-22/h3-14,20H2,1-2H3,(H,21,26,27)/p+1
InChIKeyWZJNYGNSLOXEBO-UHFFFAOYSA-O
MW380.51 g/mol
LogP0.12
Rot. Bonds7

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(azocan-1-ium-1-yl)-N-ethylacetamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(azocan-1-ium-1-yl)-N-ethylacetamide (PubChem CID 8679815) has the molecular formula C19H34N5O3+ and a molecular weight of 380.51 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(azocan-1-ium-1-yl)-N-ethylacetamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(azocan-1-ium-1-yl)-N-ethylacetamide
PubChem CID8679815
Molecular FormulaC19H34N5O3+
Molecular Weight380.51 g/mol
Exact Mass380.27
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(azocan-1-ium-1-yl)-N-ethylacetamide
SMILESCCCCn1c(N)c(N(CC)C(=O)C[NH+]2CCCCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C19H33N5O3/c1-3-5-13-24-17(20)16(18(26)21-19(24)27)23(4-2)15(25)14-22-11-9-7-6-8-10-12-22/h3-14,20H2,1-2H3,(H,21,26,27)/p+1
InChIKeyWZJNYGNSLOXEBO-UHFFFAOYSA-O
XLogP0.12
TPSA105.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(azocan-1-ium-1-yl)-N-ethylacetamide with MolForge

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Related Compounds

6-Amino-5-(butylamino)-1-propylpyrimidine-2,4(1H,3H)-dione
CID 2398074
6-amino-5-(dodecylamino)-1H-pyrimidine-2,4-dione
CID 10018296
5,6-Diamino-1-dodecyl-3-methylpyrimidine-2,4-dione
CID 11723787
6-Amino-1-Butyl-5-(Cyclopentylamino)pyrimidine-2,4(1h,3h)-Dione
CID 2363705
6-Amino-1-butyl-5-(propylamino)-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 2363721
6-Amino-1-butyl-5-(ethylamino)-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 2393504
5-amino-6-(dodecylamino)-1H-pyrimidine-2,4-dione
CID 9839694
1-Decyl-5,6-diamino-pyrimidine-2,4-dione
CID 9971024
1-Octyl-5,6-diAm-pyrimidin-2,4-dione
CID 9992492
5,6-diamino-3-dodecyl-1H-pyrimidine-2,4-dione
CID 10086748
5-amino-6-(hexadecylamino)-1H-pyrimidine-2,4-dione
CID 10090341
5,6-Diamino-1-dodecylpyrimidine-2,4-dione
CID 11722943

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(azocan-1-ium-1-yl)-N-ethylacetamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(azocan-1-ium-1-yl)-N-ethylacetamide (CID 8679815) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(azocan-1-ium-1-yl)-N-ethylacetamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(azocan-1-ium-1-yl)-N-ethylacetamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(azocan-1-ium-1-yl)-N-ethylacetamide is CCCCn1c(N)c(N(CC)C(=O)C[NH+]2CCCCCCC2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(azocan-1-ium-1-yl)-N-ethylacetamide?
The InChIKey is WZJNYGNSLOXEBO-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H33N5O3/c1-3-5-13-24-17(20)16(18(26)21-19(24)27)23(4-2)15(25)14-22-11-9-7-6-8-10-12-22/h3-14,20H2,1-2H3,(H,21,26,27)/p+1.
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(azocan-1-ium-1-yl)-N-ethylacetamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(azocan-1-ium-1-yl)-N-ethylacetamide has a molecular weight of 380.51 g/mol, XLogP of 0.12, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(azocan-1-ium-1-yl)-N-ethylacetamide is sourced from PubChem (CID 8679815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).