N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-ethylacetamide

C22H30FN5O3 — CID 55412918

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-ethylacetamide
SMILESCCCCn1c(N)c(N(CC)C(=O)CN(Cc2ccc(F)cc2)C2CC2)c(=O)[nH]c1=O
InChIInChI=1S/C22H30FN5O3/c1-3-5-12-28-20(24)19(21(30)25-22(28)31)27(4-2)18(29)14-26(17-10-11-17)13-15-6-8-16(23)9-7-15/h6-9,17H,3-5,10-14,24H2,1-2H3,(H,25,30,31)
InChIKeyQAZAIWAIQHUOPX-UHFFFAOYSA-N
MW431.51 g/mol
LogP2.08
Rot. Bonds10

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-ethylacetamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-ethylacetamide (PubChem CID 55412918) has the molecular formula C22H30FN5O3 and a molecular weight of 431.51 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-ethylacetamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-ethylacetamide
PubChem CID55412918
Molecular FormulaC22H30FN5O3
Molecular Weight431.51 g/mol
Exact Mass431.23
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-ethylacetamide
SMILESCCCCn1c(N)c(N(CC)C(=O)CN(Cc2ccc(F)cc2)C2CC2)c(=O)[nH]c1=O
InChIInChI=1S/C22H30FN5O3/c1-3-5-12-28-20(24)19(21(30)25-22(28)31)27(4-2)18(29)14-26(17-10-11-17)13-15-6-8-16(23)9-7-15/h6-9,17H,3-5,10-14,24H2,1-2H3,(H,25,30,31)
InChIKeyQAZAIWAIQHUOPX-UHFFFAOYSA-N
XLogP2.08
TPSA104.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.51
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(4-fluoro-N-methylanilino)acetamide
CID 55839982
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2-[cyclopropyl(2-methylpropyl)amino]acetamide
CID 34411864
4-[[[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl]-cyclopropylamino]methyl]benzamide
CID 30803932
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-[2-(4-fluorophenoxy)ethyl-methylamino]acetamide
CID 24507607
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 55409523
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-fluorophenyl)-N-(3-methylbutyl)acetamide
CID 26185400
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-benzylpiperazin-1-yl)-N-ethylacetamide
CID 43012919
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-4-phenylbutanamide
CID 55754269
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzylcyclobutanecarboxamide
CID 8914359
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-3-(4-fluorophenoxy)propanamide
CID 30841957
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
CID 8680820
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(methylamino)acetamide
CID 18087322

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-ethylacetamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-ethylacetamide (CID 55412918) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-ethylacetamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-ethylacetamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-ethylacetamide is CCCCn1c(N)c(N(CC)C(=O)CN(Cc2ccc(F)cc2)C2CC2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-ethylacetamide?
The InChIKey is QAZAIWAIQHUOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30FN5O3/c1-3-5-12-28-20(24)19(21(30)25-22(28)31)27(4-2)18(29)14-26(17-10-11-17)13-15-6-8-16(23)9-7-15/h6-9,17H,3-5,10-14,24H2,1-2H3,(H,25,30,31).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-ethylacetamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-ethylacetamide has a molecular weight of 431.51 g/mol, XLogP of 2.08, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-ethylacetamide is sourced from PubChem (CID 55412918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).