3-[2-[4-(6-aminopyrimidin-4-yl)-6-hydroxy-1,4-diazepan-1-yl]-2-oxoethyl]imidazolidine-2,4-dione

C14H19N7O4 — CID 74238630

IUPAC3-[2-[4-(6-aminopyrimidin-4-yl)-6-hydroxy-1,4-diazepan-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
SMILESNc1cc(N2CCN(C(=O)CN3C(=O)CNC3=O)CC(O)C2)ncn1
InChIInChI=1S/C14H19N7O4/c15-10-3-11(18-8-17-10)19-1-2-20(6-9(22)5-19)13(24)7-21-12(23)4-16-14(21)25/h3,8-9,22H,1-2,4-7H2,(H,16,25)(H2,15,17,18)
InChIKeySDNLENOBVGMZGF-UHFFFAOYSA-N
MW349.35 g/mol
LogP-2.38
Rot. Bonds3

About 3-[2-[4-(6-aminopyrimidin-4-yl)-6-hydroxy-1,4-diazepan-1-yl]-2-oxoethyl]imidazolidine-2,4-dione

3-[2-[4-(6-aminopyrimidin-4-yl)-6-hydroxy-1,4-diazepan-1-yl]-2-oxoethyl]imidazolidine-2,4-dione (PubChem CID 74238630) has the molecular formula C14H19N7O4 and a molecular weight of 349.35 g/mol. Its IUPAC name is 3-[2-[4-(6-aminopyrimidin-4-yl)-6-hydroxy-1,4-diazepan-1-yl]-2-oxoethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[4-(6-aminopyrimidin-4-yl)-6-hydroxy-1,4-diazepan-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
PubChem CID74238630
Molecular FormulaC14H19N7O4
Molecular Weight349.35 g/mol
Exact Mass349.15
IUPAC Name3-[2-[4-(6-aminopyrimidin-4-yl)-6-hydroxy-1,4-diazepan-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
SMILESNc1cc(N2CCN(C(=O)CN3C(=O)CNC3=O)CC(O)C2)ncn1
InChIInChI=1S/C14H19N7O4/c15-10-3-11(18-8-17-10)19-1-2-20(6-9(22)5-19)13(24)7-21-12(23)4-16-14(21)25/h3,8-9,22H,1-2,4-7H2,(H,16,25)(H2,15,17,18)
InChIKeySDNLENOBVGMZGF-UHFFFAOYSA-N
XLogP-2.38
TPSA144.99 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 5-2.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(6-aminopyrimidin-4-yl)-6-hydroxy-1,4-diazepan-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[2-[4-(6-aminopyrimidin-4-yl)-6-hydroxy-1,4-diazepan-1-yl]-2-oxoethyl]imidazolidine-2,4-dione (CID 74238630) is 3-[2-[4-(6-aminopyrimidin-4-yl)-6-hydroxy-1,4-diazepan-1-yl]-2-oxoethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-[4-(6-aminopyrimidin-4-yl)-6-hydroxy-1,4-diazepan-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-[4-(6-aminopyrimidin-4-yl)-6-hydroxy-1,4-diazepan-1-yl]-2-oxoethyl]imidazolidine-2,4-dione is Nc1cc(N2CCN(C(=O)CN3C(=O)CNC3=O)CC(O)C2)ncn1.
What is the InChIKey of 3-[2-[4-(6-aminopyrimidin-4-yl)-6-hydroxy-1,4-diazepan-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The InChIKey is SDNLENOBVGMZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N7O4/c15-10-3-11(18-8-17-10)19-1-2-20(6-9(22)5-19)13(24)7-21-12(23)4-16-14(21)25/h3,8-9,22H,1-2,4-7H2,(H,16,25)(H2,15,17,18).
What are the key properties of 3-[2-[4-(6-aminopyrimidin-4-yl)-6-hydroxy-1,4-diazepan-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
3-[2-[4-(6-aminopyrimidin-4-yl)-6-hydroxy-1,4-diazepan-1-yl]-2-oxoethyl]imidazolidine-2,4-dione has a molecular weight of 349.35 g/mol, XLogP of -2.38, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(6-aminopyrimidin-4-yl)-6-hydroxy-1,4-diazepan-1-yl]-2-oxoethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 74238630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).