4-N-cyclopropyl-4-N-methylquinazoline-2,4-diamine

C12H14N4 — CID 80775432

IUPAC4-N-cyclopropyl-4-N-methylquinazoline-2,4-diamine
SMILESCN(c1nc(N)nc2ccccc12)C1CC1
InChIInChI=1S/C12H14N4/c1-16(8-6-7-8)11-9-4-2-3-5-10(9)14-12(13)15-11/h2-5,8H,6-7H2,1H3,(H2,13,14,15)
InChIKeyCEISBIBMDGMCJV-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.81
Rot. Bonds2

About 4-N-cyclopropyl-4-N-methylquinazoline-2,4-diamine

4-N-cyclopropyl-4-N-methylquinazoline-2,4-diamine (PubChem CID 80775432) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is 4-N-cyclopropyl-4-N-methylquinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-4-N-methylquinazoline-2,4-diamine
PubChem CID80775432
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC Name4-N-cyclopropyl-4-N-methylquinazoline-2,4-diamine
SMILESCN(c1nc(N)nc2ccccc12)C1CC1
InChIInChI=1S/C12H14N4/c1-16(8-6-7-8)11-9-4-2-3-5-10(9)14-12(13)15-11/h2-5,8H,6-7H2,1H3,(H2,13,14,15)
InChIKeyCEISBIBMDGMCJV-UHFFFAOYSA-N
XLogP1.81
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-4-N-methylquinazoline-2,4-diamine?
The IUPAC name of 4-N-cyclopropyl-4-N-methylquinazoline-2,4-diamine (CID 80775432) is 4-N-cyclopropyl-4-N-methylquinazoline-2,4-diamine.
What is the SMILES notation for 4-N-cyclopropyl-4-N-methylquinazoline-2,4-diamine?
The canonical SMILES for 4-N-cyclopropyl-4-N-methylquinazoline-2,4-diamine is CN(c1nc(N)nc2ccccc12)C1CC1.
What is the InChIKey of 4-N-cyclopropyl-4-N-methylquinazoline-2,4-diamine?
The InChIKey is CEISBIBMDGMCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c1-16(8-6-7-8)11-9-4-2-3-5-10(9)14-12(13)15-11/h2-5,8H,6-7H2,1H3,(H2,13,14,15).
What are the key properties of 4-N-cyclopropyl-4-N-methylquinazoline-2,4-diamine?
4-N-cyclopropyl-4-N-methylquinazoline-2,4-diamine has a molecular weight of 214.27 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-4-N-methylquinazoline-2,4-diamine is sourced from PubChem (CID 80775432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).