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

C24H43N5O3 — CID 56542538

IUPACN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[(2-tert-butylcyclohexyl)amino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CN(C(=O)CNC1CCCCC1C(C)(C)C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C24H43N5O3/c1-15(2)13-28(20-21(25)29(14-16(3)4)23(32)27-22(20)31)19(30)12-26-18-11-9-8-10-17(18)24(5,6)7/h15-18,26H,8-14,25H2,1-7H3,(H,27,31,32)
InChIKeyWNWRXEXQOZOVGO-UHFFFAOYSA-N
MW449.64 g/mol
LogP2.96
Rot. Bonds8

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

N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[(2-tert-butylcyclohexyl)amino]-N-(2-methylpropyl)acetamide (PubChem CID 56542538) has the molecular formula C24H43N5O3 and a molecular weight of 449.64 g/mol. Its IUPAC name is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[(2-tert-butylcyclohexyl)amino]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[(2-tert-butylcyclohexyl)amino]-N-(2-methylpropyl)acetamide
PubChem CID56542538
Molecular FormulaC24H43N5O3
Molecular Weight449.64 g/mol
Exact Mass449.34
IUPAC NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[(2-tert-butylcyclohexyl)amino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CN(C(=O)CNC1CCCCC1C(C)(C)C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C24H43N5O3/c1-15(2)13-28(20-21(25)29(14-16(3)4)23(32)27-22(20)31)19(30)12-26-18-11-9-8-10-17(18)24(5,6)7/h15-18,26H,8-14,25H2,1-7H3,(H,27,31,32)
InChIKeyWNWRXEXQOZOVGO-UHFFFAOYSA-N
XLogP2.96
TPSA113.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.64
LogP ≤ 52.96
H-Bond Donors ≤ 53
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-[(2-tert-butylcyclohexyl)amino]-N-(2-methylpropyl)acetamide?
The IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[(2-tert-butylcyclohexyl)amino]-N-(2-methylpropyl)acetamide (CID 56542538) is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[(2-tert-butylcyclohexyl)amino]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[(2-tert-butylcyclohexyl)amino]-N-(2-methylpropyl)acetamide?
The canonical SMILES for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[(2-tert-butylcyclohexyl)amino]-N-(2-methylpropyl)acetamide is CC(C)CN(C(=O)CNC1CCCCC1C(C)(C)C)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-[(2-tert-butylcyclohexyl)amino]-N-(2-methylpropyl)acetamide?
The InChIKey is WNWRXEXQOZOVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H43N5O3/c1-15(2)13-28(20-21(25)29(14-16(3)4)23(32)27-22(20)31)19(30)12-26-18-11-9-8-10-17(18)24(5,6)7/h15-18,26H,8-14,25H2,1-7H3,(H,27,31,32).
What are the key properties of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[(2-tert-butylcyclohexyl)amino]-N-(2-methylpropyl)acetamide?
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[(2-tert-butylcyclohexyl)amino]-N-(2-methylpropyl)acetamide has a molecular weight of 449.64 g/mol, XLogP of 2.96, 8 rotatable bonds, 3 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-[(2-tert-butylcyclohexyl)amino]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 56542538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).