2,2-dimethyl-1-N-quinazolin-4-ylcyclobutane-1,3-diamine

C14H18N4 — CID 114632712

IUPAC2,2-dimethyl-1-N-quinazolin-4-ylcyclobutane-1,3-diamine
SMILESCC1(C)C(N)CC1Nc1ncnc2ccccc12
InChIInChI=1S/C14H18N4/c1-14(2)11(15)7-12(14)18-13-9-5-3-4-6-10(9)16-8-17-13/h3-6,8,11-12H,7,15H2,1-2H3,(H,16,17,18)
InChIKeyPZLRMPPQGGGOPE-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.17
Rot. Bonds2

About 2,2-dimethyl-1-N-quinazolin-4-ylcyclobutane-1,3-diamine

2,2-dimethyl-1-N-quinazolin-4-ylcyclobutane-1,3-diamine (PubChem CID 114632712) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 2,2-dimethyl-1-N-quinazolin-4-ylcyclobutane-1,3-diamine.

Molecular Properties

Compound Name2,2-dimethyl-1-N-quinazolin-4-ylcyclobutane-1,3-diamine
PubChem CID114632712
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name2,2-dimethyl-1-N-quinazolin-4-ylcyclobutane-1,3-diamine
SMILESCC1(C)C(N)CC1Nc1ncnc2ccccc12
InChIInChI=1S/C14H18N4/c1-14(2)11(15)7-12(14)18-13-9-5-3-4-6-10(9)16-8-17-13/h3-6,8,11-12H,7,15H2,1-2H3,(H,16,17,18)
InChIKeyPZLRMPPQGGGOPE-UHFFFAOYSA-N
XLogP2.17
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-N-quinazolin-4-ylcyclobutane-1,3-diamine?
The IUPAC name of 2,2-dimethyl-1-N-quinazolin-4-ylcyclobutane-1,3-diamine (CID 114632712) is 2,2-dimethyl-1-N-quinazolin-4-ylcyclobutane-1,3-diamine.
What is the SMILES notation for 2,2-dimethyl-1-N-quinazolin-4-ylcyclobutane-1,3-diamine?
The canonical SMILES for 2,2-dimethyl-1-N-quinazolin-4-ylcyclobutane-1,3-diamine is CC1(C)C(N)CC1Nc1ncnc2ccccc12.
What is the InChIKey of 2,2-dimethyl-1-N-quinazolin-4-ylcyclobutane-1,3-diamine?
The InChIKey is PZLRMPPQGGGOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-14(2)11(15)7-12(14)18-13-9-5-3-4-6-10(9)16-8-17-13/h3-6,8,11-12H,7,15H2,1-2H3,(H,16,17,18).
What are the key properties of 2,2-dimethyl-1-N-quinazolin-4-ylcyclobutane-1,3-diamine?
2,2-dimethyl-1-N-quinazolin-4-ylcyclobutane-1,3-diamine has a molecular weight of 242.33 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-N-quinazolin-4-ylcyclobutane-1,3-diamine is sourced from PubChem (CID 114632712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).