N-[4-amino-1-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]-2,6-dioxo-3-propylpyrimidin-5-yl]-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide

C18H28F3N5O5 — CID 41093815

IUPACN-[4-amino-1-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]-2,6-dioxo-3-propylpyrimidin-5-yl]-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide
SMILESCCCn1c(N)c(N(CCOC)C(=O)C(F)(F)F)c(=O)n(CC(=O)N[C@@H](C)CC)c1=O
InChIInChI=1S/C18H28F3N5O5/c1-5-7-25-14(22)13(24(8-9-31-4)16(29)18(19,20)21)15(28)26(17(25)30)10-12(27)23-11(3)6-2/h11H,5-10,22H2,1-4H3,(H,23,27)/t11-/m0/s1
InChIKeyYIONTLZGKCJLMN-NSHDSACASA-N
MW451.45 g/mol
LogP0.46
Rot. Bonds10

About N-[4-amino-1-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]-2,6-dioxo-3-propylpyrimidin-5-yl]-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide

N-[4-amino-1-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]-2,6-dioxo-3-propylpyrimidin-5-yl]-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide (PubChem CID 41093815) has the molecular formula C18H28F3N5O5 and a molecular weight of 451.45 g/mol. Its IUPAC name is N-[4-amino-1-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]-2,6-dioxo-3-propylpyrimidin-5-yl]-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound NameN-[4-amino-1-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]-2,6-dioxo-3-propylpyrimidin-5-yl]-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide
PubChem CID41093815
Molecular FormulaC18H28F3N5O5
Molecular Weight451.45 g/mol
Exact Mass451.20
IUPAC NameN-[4-amino-1-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]-2,6-dioxo-3-propylpyrimidin-5-yl]-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide
SMILESCCCn1c(N)c(N(CCOC)C(=O)C(F)(F)F)c(=O)n(CC(=O)N[C@@H](C)CC)c1=O
InChIInChI=1S/C18H28F3N5O5/c1-5-7-25-14(22)13(24(8-9-31-4)16(29)18(19,20)21)15(28)26(17(25)30)10-12(27)23-11(3)6-2/h11H,5-10,22H2,1-4H3,(H,23,27)/t11-/m0/s1
InChIKeyYIONTLZGKCJLMN-NSHDSACASA-N
XLogP0.46
TPSA128.66 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.45
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[4-amino-1-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]-2,6-dioxo-3-propylpyrimidin-5-yl]-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-amino-1-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]-2,6-dioxo-3-propylpyrimidin-5-yl]-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide?
The IUPAC name of N-[4-amino-1-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]-2,6-dioxo-3-propylpyrimidin-5-yl]-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide (CID 41093815) is N-[4-amino-1-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]-2,6-dioxo-3-propylpyrimidin-5-yl]-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for N-[4-amino-1-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]-2,6-dioxo-3-propylpyrimidin-5-yl]-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide?
The canonical SMILES for N-[4-amino-1-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]-2,6-dioxo-3-propylpyrimidin-5-yl]-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide is CCCn1c(N)c(N(CCOC)C(=O)C(F)(F)F)c(=O)n(CC(=O)N[C@@H](C)CC)c1=O.
What is the InChIKey of N-[4-amino-1-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]-2,6-dioxo-3-propylpyrimidin-5-yl]-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide?
The InChIKey is YIONTLZGKCJLMN-NSHDSACASA-N. The full InChI is InChI=1S/C18H28F3N5O5/c1-5-7-25-14(22)13(24(8-9-31-4)16(29)18(19,20)21)15(28)26(17(25)30)10-12(27)23-11(3)6-2/h11H,5-10,22H2,1-4H3,(H,23,27)/t11-/m0/s1.
What are the key properties of N-[4-amino-1-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]-2,6-dioxo-3-propylpyrimidin-5-yl]-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide?
N-[4-amino-1-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]-2,6-dioxo-3-propylpyrimidin-5-yl]-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide has a molecular weight of 451.45 g/mol, XLogP of 0.46, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-1-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]-2,6-dioxo-3-propylpyrimidin-5-yl]-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 41093815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).