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

C24H36N6O4 — CID 5100000

IUPACN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide
SMILESCC(C)CN(C(=O)CN1CCN(c2ccc(O)cc2)CC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C24H36N6O4/c1-16(2)13-29(21-22(25)30(14-17(3)4)24(34)26-23(21)33)20(32)15-27-9-11-28(12-10-27)18-5-7-19(31)8-6-18/h5-8,16-17,31H,9-15,25H2,1-4H3,(H,26,33,34)
InChIKeyVEBXSFYDZPIBGB-UHFFFAOYSA-N
MW472.59 g/mol
LogP1.29
Rot. Bonds8

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

N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide (PubChem CID 5100000) has the molecular formula C24H36N6O4 and a molecular weight of 472.59 g/mol. Its IUPAC name is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide
PubChem CID5100000
Molecular FormulaC24H36N6O4
Molecular Weight472.59 g/mol
Exact Mass472.28
IUPAC NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide
SMILESCC(C)CN(C(=O)CN1CCN(c2ccc(O)cc2)CC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C24H36N6O4/c1-16(2)13-29(21-22(25)30(14-17(3)4)24(34)26-23(21)33)20(32)15-27-9-11-28(12-10-27)18-5-7-19(31)8-6-18/h5-8,16-17,31H,9-15,25H2,1-4H3,(H,26,33,34)
InChIKeyVEBXSFYDZPIBGB-UHFFFAOYSA-N
XLogP1.29
TPSA127.90 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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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-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide?
The IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide (CID 5100000) is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide?
The canonical SMILES for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide is CC(C)CN(C(=O)CN1CCN(c2ccc(O)cc2)CC1)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-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide?
The InChIKey is VEBXSFYDZPIBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N6O4/c1-16(2)13-29(21-22(25)30(14-17(3)4)24(34)26-23(21)33)20(32)15-27-9-11-28(12-10-27)18-5-7-19(31)8-6-18/h5-8,16-17,31H,9-15,25H2,1-4H3,(H,26,33,34).
What are the key properties of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide?
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide has a molecular weight of 472.59 g/mol, XLogP of 1.29, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 5100000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).