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

C22H33N5O3 — CID 2684449

IUPACN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-2-[[(1R)-1-phenylethyl]amino]acetamide
SMILESCC(C)CN(C(=O)CN[C@H](C)c1ccccc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C22H33N5O3/c1-14(2)12-26(18(28)11-24-16(5)17-9-7-6-8-10-17)19-20(23)27(13-15(3)4)22(30)25-21(19)29/h6-10,14-16,24H,11-13,23H2,1-5H3,(H,25,29,30)/t16-/m1/s1
InChIKeyOSOFZWWYBNQPNO-MRXNPFEDSA-N
MW415.54 g/mol
LogP2.11
Rot. Bonds9

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

N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-2-[[(1R)-1-phenylethyl]amino]acetamide (PubChem CID 2684449) has the molecular formula C22H33N5O3 and a molecular weight of 415.54 g/mol. Its IUPAC name is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-2-[[(1R)-1-phenylethyl]amino]acetamide.

Molecular Properties

Compound NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-2-[[(1R)-1-phenylethyl]amino]acetamide
PubChem CID2684449
Molecular FormulaC22H33N5O3
Molecular Weight415.54 g/mol
Exact Mass415.26
IUPAC NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-2-[[(1R)-1-phenylethyl]amino]acetamide
SMILESCC(C)CN(C(=O)CN[C@H](C)c1ccccc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C22H33N5O3/c1-14(2)12-26(18(28)11-24-16(5)17-9-7-6-8-10-17)19-20(23)27(13-15(3)4)22(30)25-21(19)29/h6-10,14-16,24H,11-13,23H2,1-5H3,(H,25,29,30)/t16-/m1/s1
InChIKeyOSOFZWWYBNQPNO-MRXNPFEDSA-N
XLogP2.11
TPSA113.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-3-phenylpropanamide
CID 2558690
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-(1-phenylethylamino)acetamide
CID 42913361
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-methyl-N-(2-methylpropyl)butanamide
CID 31288285
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-[[(1S)-1,2-diphenylethyl]amino]acetamide
CID 41113416
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-[[(1R)-1,2-diphenylethyl]amino]acetamide
CID 41113419
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-3-phenylbutanamide
CID 24686728
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-2-thiophen-2-ylacetamide
CID 29298893
N-[3-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-3-oxopropyl]-2-methylbenzamide
CID 36669953
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-4-propan-2-ylbenzamide
CID 29299004
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[(3-methylphenyl)methylsulfanyl]-N-(2-methylpropyl)acetamide
CID 30724872
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(4-methoxyphenyl)sulfanyl-N-(2-methylpropyl)acetamide
CID 32995085
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 3954861

Frequently Asked Questions

What is the IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-2-[[(1R)-1-phenylethyl]amino]acetamide?
The IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-2-[[(1R)-1-phenylethyl]amino]acetamide (CID 2684449) is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-2-[[(1R)-1-phenylethyl]amino]acetamide.
What is the SMILES notation for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-2-[[(1R)-1-phenylethyl]amino]acetamide?
The canonical SMILES for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-2-[[(1R)-1-phenylethyl]amino]acetamide is CC(C)CN(C(=O)CN[C@H](C)c1ccccc1)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]-N-(2-methylpropyl)-2-[[(1R)-1-phenylethyl]amino]acetamide?
The InChIKey is OSOFZWWYBNQPNO-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H33N5O3/c1-14(2)12-26(18(28)11-24-16(5)17-9-7-6-8-10-17)19-20(23)27(13-15(3)4)22(30)25-21(19)29/h6-10,14-16,24H,11-13,23H2,1-5H3,(H,25,29,30)/t16-/m1/s1.
What are the key properties of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-2-[[(1R)-1-phenylethyl]amino]acetamide?
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-2-[[(1R)-1-phenylethyl]amino]acetamide has a molecular weight of 415.54 g/mol, XLogP of 2.11, 9 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]-N-(2-methylpropyl)-2-[[(1R)-1-phenylethyl]amino]acetamide is sourced from PubChem (CID 2684449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).