6-amino-1-ethyl-5-[2-[methyl-[(1S)-1-(4-methylphenyl)ethyl]amino]acetyl]pyrimidine-2,4-dione

C18H24N4O3 — CID 94458615

IUPAC6-amino-1-ethyl-5-[2-[methyl-[(1S)-1-(4-methylphenyl)ethyl]amino]acetyl]pyrimidine-2,4-dione
SMILESCCn1c(N)c(C(=O)CN(C)[C@@H](C)c2ccc(C)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C18H24N4O3/c1-5-22-16(19)15(17(24)20-18(22)25)14(23)10-21(4)12(3)13-8-6-11(2)7-9-13/h6-9,12H,5,10,19H2,1-4H3,(H,20,24,25)/t12-/m0/s1
InChIKeyNBUKLKMPQZCWNJ-LBPRGKRZSA-N
MW344.42 g/mol
LogP1.32
Rot. Bonds6

About 6-amino-1-ethyl-5-[2-[methyl-[(1S)-1-(4-methylphenyl)ethyl]amino]acetyl]pyrimidine-2,4-dione

6-amino-1-ethyl-5-[2-[methyl-[(1S)-1-(4-methylphenyl)ethyl]amino]acetyl]pyrimidine-2,4-dione (PubChem CID 94458615) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 6-amino-1-ethyl-5-[2-[methyl-[(1S)-1-(4-methylphenyl)ethyl]amino]acetyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-ethyl-5-[2-[methyl-[(1S)-1-(4-methylphenyl)ethyl]amino]acetyl]pyrimidine-2,4-dione
PubChem CID94458615
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name6-amino-1-ethyl-5-[2-[methyl-[(1S)-1-(4-methylphenyl)ethyl]amino]acetyl]pyrimidine-2,4-dione
SMILESCCn1c(N)c(C(=O)CN(C)[C@@H](C)c2ccc(C)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C18H24N4O3/c1-5-22-16(19)15(17(24)20-18(22)25)14(23)10-21(4)12(3)13-8-6-11(2)7-9-13/h6-9,12H,5,10,19H2,1-4H3,(H,20,24,25)/t12-/m0/s1
InChIKeyNBUKLKMPQZCWNJ-LBPRGKRZSA-N
XLogP1.32
TPSA101.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-ethyl-5-[2-[methyl-[(1S)-1-(4-methylphenyl)ethyl]amino]acetyl]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-ethyl-5-[2-[methyl-[(1S)-1-(4-methylphenyl)ethyl]amino]acetyl]pyrimidine-2,4-dione (CID 94458615) is 6-amino-1-ethyl-5-[2-[methyl-[(1S)-1-(4-methylphenyl)ethyl]amino]acetyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-ethyl-5-[2-[methyl-[(1S)-1-(4-methylphenyl)ethyl]amino]acetyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-ethyl-5-[2-[methyl-[(1S)-1-(4-methylphenyl)ethyl]amino]acetyl]pyrimidine-2,4-dione is CCn1c(N)c(C(=O)CN(C)[C@@H](C)c2ccc(C)cc2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-ethyl-5-[2-[methyl-[(1S)-1-(4-methylphenyl)ethyl]amino]acetyl]pyrimidine-2,4-dione?
The InChIKey is NBUKLKMPQZCWNJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-5-22-16(19)15(17(24)20-18(22)25)14(23)10-21(4)12(3)13-8-6-11(2)7-9-13/h6-9,12H,5,10,19H2,1-4H3,(H,20,24,25)/t12-/m0/s1.
What are the key properties of 6-amino-1-ethyl-5-[2-[methyl-[(1S)-1-(4-methylphenyl)ethyl]amino]acetyl]pyrimidine-2,4-dione?
6-amino-1-ethyl-5-[2-[methyl-[(1S)-1-(4-methylphenyl)ethyl]amino]acetyl]pyrimidine-2,4-dione has a molecular weight of 344.42 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-ethyl-5-[2-[methyl-[(1S)-1-(4-methylphenyl)ethyl]amino]acetyl]pyrimidine-2,4-dione is sourced from PubChem (CID 94458615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).