CID 166460731

C20H24N6O2 — CID 166460731

IUPAC—
SMILESCc1cc(Nc2cc(N)ncn2)c(=O)n2c1C(=O)NC21CCC2(CCC2)CC1
InChIInChI=1S/C20H24N6O2/c1-12-9-13(24-15-10-14(21)22-11-23-15)18(28)26-16(12)17(27)25-20(26)7-5-19(6-8-20)3-2-4-19/h9-11H,2-8H2,1H3,(H,25,27)(H3,21,22,23,24)
InChIKeyZWVFVVDLTVFTMX-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.41
Rot. Bonds2

About CID 166460731

CID 166460731 (PubChem CID 166460731) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol.

Molecular Properties

Compound NameCID 166460731
PubChem CID166460731
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC Name—
SMILESCc1cc(Nc2cc(N)ncn2)c(=O)n2c1C(=O)NC21CCC2(CCC2)CC1
InChIInChI=1S/C20H24N6O2/c1-12-9-13(24-15-10-14(21)22-11-23-15)18(28)26-16(12)17(27)25-20(26)7-5-19(6-8-20)3-2-4-19/h9-11H,2-8H2,1H3,(H,25,27)(H3,21,22,23,24)
InChIKeyZWVFVVDLTVFTMX-UHFFFAOYSA-N
XLogP2.41
TPSA114.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of CID 166460731?
The IUPAC name of CID 166460731 (CID 166460731) is not available.
What is the SMILES notation for CID 166460731?
The canonical SMILES for CID 166460731 is Cc1cc(Nc2cc(N)ncn2)c(=O)n2c1C(=O)NC21CCC2(CCC2)CC1.
What is the InChIKey of CID 166460731?
The InChIKey is ZWVFVVDLTVFTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-12-9-13(24-15-10-14(21)22-11-23-15)18(28)26-16(12)17(27)25-20(26)7-5-19(6-8-20)3-2-4-19/h9-11H,2-8H2,1H3,(H,25,27)(H3,21,22,23,24).
What are the key properties of CID 166460731?
CID 166460731 has a molecular weight of 380.45 g/mol, XLogP of 2.41, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 166460731 is sourced from PubChem (CID 166460731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).