N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(azocan-1-yl)-N-(2-methylpropyl)acetamide

C21H37N5O3 — CID 4855637

IUPACN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(azocan-1-yl)-N-(2-methylpropyl)acetamide
SMILESCC(C)CN(C(=O)CN1CCCCCCC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C21H37N5O3/c1-15(2)12-25(17(27)14-24-10-8-6-5-7-9-11-24)18-19(22)26(13-16(3)4)21(29)23-20(18)28/h15-16H,5-14,22H2,1-4H3,(H,23,28,29)
InChIKeyFHUMTPAKAQDFGR-UHFFFAOYSA-N
MW407.56 g/mol
LogP2.03
Rot. Bonds7

About N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(azocan-1-yl)-N-(2-methylpropyl)acetamide

N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(azocan-1-yl)-N-(2-methylpropyl)acetamide (PubChem CID 4855637) has the molecular formula C21H37N5O3 and a molecular weight of 407.56 g/mol. Its IUPAC name is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(azocan-1-yl)-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(azocan-1-yl)-N-(2-methylpropyl)acetamide
PubChem CID4855637
Molecular FormulaC21H37N5O3
Molecular Weight407.56 g/mol
Exact Mass407.29
IUPAC NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(azocan-1-yl)-N-(2-methylpropyl)acetamide
SMILESCC(C)CN(C(=O)CN1CCCCCCC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C21H37N5O3/c1-15(2)12-25(17(27)14-24-10-8-6-5-7-9-11-24)18-19(22)26(13-16(3)4)21(29)23-20(18)28/h15-16H,5-14,22H2,1-4H3,(H,23,28,29)
InChIKeyFHUMTPAKAQDFGR-UHFFFAOYSA-N
XLogP2.03
TPSA104.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(azocan-1-yl)-N-(2-methylpropyl)acetamide?
The IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(azocan-1-yl)-N-(2-methylpropyl)acetamide (CID 4855637) is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(azocan-1-yl)-N-(2-methylpropyl)acetamide.
What is the SMILES notation for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(azocan-1-yl)-N-(2-methylpropyl)acetamide?
The canonical SMILES for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(azocan-1-yl)-N-(2-methylpropyl)acetamide is CC(C)CN(C(=O)CN1CCCCCCC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O.
What is the InChIKey of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(azocan-1-yl)-N-(2-methylpropyl)acetamide?
The InChIKey is FHUMTPAKAQDFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N5O3/c1-15(2)12-25(17(27)14-24-10-8-6-5-7-9-11-24)18-19(22)26(13-16(3)4)21(29)23-20(18)28/h15-16H,5-14,22H2,1-4H3,(H,23,28,29).
What are the key properties of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(azocan-1-yl)-N-(2-methylpropyl)acetamide?
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(azocan-1-yl)-N-(2-methylpropyl)acetamide has a molecular weight of 407.56 g/mol, XLogP of 2.03, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(azocan-1-yl)-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 4855637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).