N-[3-(4-amino-1-ethyl-2-oxopyrimidin-5-yl)prop-2-ynyl]-2-(3-methylbutoxy)acetamide

C16H24N4O3 — CID 167268115

IUPACN-[3-(4-amino-1-ethyl-2-oxopyrimidin-5-yl)prop-2-ynyl]-2-(3-methylbutoxy)acetamide
SMILESCCn1cc(C#CCNC(=O)COCCC(C)C)c(N)nc1=O
InChIInChI=1S/C16H24N4O3/c1-4-20-10-13(15(17)19-16(20)22)6-5-8-18-14(21)11-23-9-7-12(2)3/h10,12H,4,7-9,11H2,1-3H3,(H,18,21)(H2,17,19,22)
InChIKeyAAYXAPNZGVFQMB-UHFFFAOYSA-N
MW320.39 g/mol
LogP0.38
Rot. Bonds7

About N-[3-(4-amino-1-ethyl-2-oxopyrimidin-5-yl)prop-2-ynyl]-2-(3-methylbutoxy)acetamide

N-[3-(4-amino-1-ethyl-2-oxopyrimidin-5-yl)prop-2-ynyl]-2-(3-methylbutoxy)acetamide (PubChem CID 167268115) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-[3-(4-amino-1-ethyl-2-oxopyrimidin-5-yl)prop-2-ynyl]-2-(3-methylbutoxy)acetamide.

Molecular Properties

Compound NameN-[3-(4-amino-1-ethyl-2-oxopyrimidin-5-yl)prop-2-ynyl]-2-(3-methylbutoxy)acetamide
PubChem CID167268115
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC NameN-[3-(4-amino-1-ethyl-2-oxopyrimidin-5-yl)prop-2-ynyl]-2-(3-methylbutoxy)acetamide
SMILESCCn1cc(C#CCNC(=O)COCCC(C)C)c(N)nc1=O
InChIInChI=1S/C16H24N4O3/c1-4-20-10-13(15(17)19-16(20)22)6-5-8-18-14(21)11-23-9-7-12(2)3/h10,12H,4,7-9,11H2,1-3H3,(H,18,21)(H2,17,19,22)
InChIKeyAAYXAPNZGVFQMB-UHFFFAOYSA-N
XLogP0.38
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-amino-1-ethyl-2-oxopyrimidin-5-yl)prop-2-ynyl]-2-(3-methylbutoxy)acetamide?
The IUPAC name of N-[3-(4-amino-1-ethyl-2-oxopyrimidin-5-yl)prop-2-ynyl]-2-(3-methylbutoxy)acetamide (CID 167268115) is N-[3-(4-amino-1-ethyl-2-oxopyrimidin-5-yl)prop-2-ynyl]-2-(3-methylbutoxy)acetamide.
What is the SMILES notation for N-[3-(4-amino-1-ethyl-2-oxopyrimidin-5-yl)prop-2-ynyl]-2-(3-methylbutoxy)acetamide?
The canonical SMILES for N-[3-(4-amino-1-ethyl-2-oxopyrimidin-5-yl)prop-2-ynyl]-2-(3-methylbutoxy)acetamide is CCn1cc(C#CCNC(=O)COCCC(C)C)c(N)nc1=O.
What is the InChIKey of N-[3-(4-amino-1-ethyl-2-oxopyrimidin-5-yl)prop-2-ynyl]-2-(3-methylbutoxy)acetamide?
The InChIKey is AAYXAPNZGVFQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-4-20-10-13(15(17)19-16(20)22)6-5-8-18-14(21)11-23-9-7-12(2)3/h10,12H,4,7-9,11H2,1-3H3,(H,18,21)(H2,17,19,22).
What are the key properties of N-[3-(4-amino-1-ethyl-2-oxopyrimidin-5-yl)prop-2-ynyl]-2-(3-methylbutoxy)acetamide?
N-[3-(4-amino-1-ethyl-2-oxopyrimidin-5-yl)prop-2-ynyl]-2-(3-methylbutoxy)acetamide has a molecular weight of 320.39 g/mol, XLogP of 0.38, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-amino-1-ethyl-2-oxopyrimidin-5-yl)prop-2-ynyl]-2-(3-methylbutoxy)acetamide is sourced from PubChem (CID 167268115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).