(5S)-5-[3-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione

C15H21N7O3 — CID 97109983

IUPAC(5S)-5-[3-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
SMILESCc1cc(N2CCN(C(=O)CC[C@@H]3NC(=O)NC3=O)CC2)nc(N)n1
InChIInChI=1S/C15H21N7O3/c1-9-8-11(19-14(16)17-9)21-4-6-22(7-5-21)12(23)3-2-10-13(24)20-15(25)18-10/h8,10H,2-7H2,1H3,(H2,16,17,19)(H2,18,20,24,25)/t10-/m0/s1
InChIKeyLJELQQGYSCDWLB-JTQLQIEISA-N
MW347.38 g/mol
LogP-1.00
Rot. Bonds4

About (5S)-5-[3-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione

(5S)-5-[3-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione (PubChem CID 97109983) has the molecular formula C15H21N7O3 and a molecular weight of 347.38 g/mol. Its IUPAC name is (5S)-5-[3-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[3-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
PubChem CID97109983
Molecular FormulaC15H21N7O3
Molecular Weight347.38 g/mol
Exact Mass347.17
IUPAC Name(5S)-5-[3-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
SMILESCc1cc(N2CCN(C(=O)CC[C@@H]3NC(=O)NC3=O)CC2)nc(N)n1
InChIInChI=1S/C15H21N7O3/c1-9-8-11(19-14(16)17-9)21-4-6-22(7-5-21)12(23)3-2-10-13(24)20-15(25)18-10/h8,10H,2-7H2,1H3,(H2,16,17,19)(H2,18,20,24,25)/t10-/m0/s1
InChIKeyLJELQQGYSCDWLB-JTQLQIEISA-N
XLogP-1.00
TPSA133.55 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 5-1.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[3-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[3-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione (CID 97109983) is (5S)-5-[3-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[3-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[3-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione is Cc1cc(N2CCN(C(=O)CC[C@@H]3NC(=O)NC3=O)CC2)nc(N)n1.
What is the InChIKey of (5S)-5-[3-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The InChIKey is LJELQQGYSCDWLB-JTQLQIEISA-N. The full InChI is InChI=1S/C15H21N7O3/c1-9-8-11(19-14(16)17-9)21-4-6-22(7-5-21)12(23)3-2-10-13(24)20-15(25)18-10/h8,10H,2-7H2,1H3,(H2,16,17,19)(H2,18,20,24,25)/t10-/m0/s1.
What are the key properties of (5S)-5-[3-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
(5S)-5-[3-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione has a molecular weight of 347.38 g/mol, XLogP of -1.00, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[3-[4-(2-amino-6-methylpyrimidin-4-yl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione is sourced from PubChem (CID 97109983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).