2-[6-[6-[(2-methylpyrimidin-5-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]quinazolin-4-amine

C24H24N8 — CID 155725191

IUPAC2-[6-[6-[(2-methylpyrimidin-5-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]quinazolin-4-amine
SMILESCc1ncc(CN2C3CC2CN(c2ccc(-c4nc(N)c5ccccc5n4)cn2)C3)cn1
InChIInChI=1S/C24H24N8/c1-15-26-9-16(10-27-15)12-32-18-8-19(32)14-31(13-18)22-7-6-17(11-28-22)24-29-21-5-3-2-4-20(21)23(25)30-24/h2-7,9-11,18-19H,8,12-14H2,1H3,(H2,25,29,30)
InChIKeyKEBVIDSMQMEAKS-UHFFFAOYSA-N
MW424.51 g/mol
LogP2.84
Rot. Bonds4

About 2-[6-[6-[(2-methylpyrimidin-5-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]quinazolin-4-amine

2-[6-[6-[(2-methylpyrimidin-5-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]quinazolin-4-amine (PubChem CID 155725191) has the molecular formula C24H24N8 and a molecular weight of 424.51 g/mol. Its IUPAC name is 2-[6-[6-[(2-methylpyrimidin-5-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-[6-[6-[(2-methylpyrimidin-5-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]quinazolin-4-amine
PubChem CID155725191
Molecular FormulaC24H24N8
Molecular Weight424.51 g/mol
Exact Mass424.21
IUPAC Name2-[6-[6-[(2-methylpyrimidin-5-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]quinazolin-4-amine
SMILESCc1ncc(CN2C3CC2CN(c2ccc(-c4nc(N)c5ccccc5n4)cn2)C3)cn1
InChIInChI=1S/C24H24N8/c1-15-26-9-16(10-27-15)12-32-18-8-19(32)14-31(13-18)22-7-6-17(11-28-22)24-29-21-5-3-2-4-20(21)23(25)30-24/h2-7,9-11,18-19H,8,12-14H2,1H3,(H2,25,29,30)
InChIKeyKEBVIDSMQMEAKS-UHFFFAOYSA-N
XLogP2.84
TPSA96.95 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[6-[6-[(2-methylpyrimidin-5-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]quinazolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[6-[6-[(2-methylpyrimidin-5-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]quinazolin-4-amine?
The IUPAC name of 2-[6-[6-[(2-methylpyrimidin-5-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]quinazolin-4-amine (CID 155725191) is 2-[6-[6-[(2-methylpyrimidin-5-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]quinazolin-4-amine.
What is the SMILES notation for 2-[6-[6-[(2-methylpyrimidin-5-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]quinazolin-4-amine?
The canonical SMILES for 2-[6-[6-[(2-methylpyrimidin-5-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]quinazolin-4-amine is Cc1ncc(CN2C3CC2CN(c2ccc(-c4nc(N)c5ccccc5n4)cn2)C3)cn1.
What is the InChIKey of 2-[6-[6-[(2-methylpyrimidin-5-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]quinazolin-4-amine?
The InChIKey is KEBVIDSMQMEAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N8/c1-15-26-9-16(10-27-15)12-32-18-8-19(32)14-31(13-18)22-7-6-17(11-28-22)24-29-21-5-3-2-4-20(21)23(25)30-24/h2-7,9-11,18-19H,8,12-14H2,1H3,(H2,25,29,30).
What are the key properties of 2-[6-[6-[(2-methylpyrimidin-5-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]quinazolin-4-amine?
2-[6-[6-[(2-methylpyrimidin-5-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]quinazolin-4-amine has a molecular weight of 424.51 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[6-[(2-methylpyrimidin-5-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]quinazolin-4-amine is sourced from PubChem (CID 155725191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).