4-N-methyl-4-N-propan-2-ylquinazoline-2,4-diamine

C12H16N4 — CID 80763753

IUPAC4-N-methyl-4-N-propan-2-ylquinazoline-2,4-diamine
SMILESCC(C)N(C)c1nc(N)nc2ccccc12
InChIInChI=1S/C12H16N4/c1-8(2)16(3)11-9-6-4-5-7-10(9)14-12(13)15-11/h4-8H,1-3H3,(H2,13,14,15)
InChIKeyOTJCGMYATUFEEP-UHFFFAOYSA-N
MW216.29 g/mol
LogP2.06
Rot. Bonds2

About 4-N-methyl-4-N-propan-2-ylquinazoline-2,4-diamine

4-N-methyl-4-N-propan-2-ylquinazoline-2,4-diamine (PubChem CID 80763753) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 4-N-methyl-4-N-propan-2-ylquinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-propan-2-ylquinazoline-2,4-diamine
PubChem CID80763753
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name4-N-methyl-4-N-propan-2-ylquinazoline-2,4-diamine
SMILESCC(C)N(C)c1nc(N)nc2ccccc12
InChIInChI=1S/C12H16N4/c1-8(2)16(3)11-9-6-4-5-7-10(9)14-12(13)15-11/h4-8H,1-3H3,(H2,13,14,15)
InChIKeyOTJCGMYATUFEEP-UHFFFAOYSA-N
XLogP2.06
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-propan-2-ylquinazoline-2,4-diamine?
The IUPAC name of 4-N-methyl-4-N-propan-2-ylquinazoline-2,4-diamine (CID 80763753) is 4-N-methyl-4-N-propan-2-ylquinazoline-2,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N-propan-2-ylquinazoline-2,4-diamine?
The canonical SMILES for 4-N-methyl-4-N-propan-2-ylquinazoline-2,4-diamine is CC(C)N(C)c1nc(N)nc2ccccc12.
What is the InChIKey of 4-N-methyl-4-N-propan-2-ylquinazoline-2,4-diamine?
The InChIKey is OTJCGMYATUFEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-8(2)16(3)11-9-6-4-5-7-10(9)14-12(13)15-11/h4-8H,1-3H3,(H2,13,14,15).
What are the key properties of 4-N-methyl-4-N-propan-2-ylquinazoline-2,4-diamine?
4-N-methyl-4-N-propan-2-ylquinazoline-2,4-diamine has a molecular weight of 216.29 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-propan-2-ylquinazoline-2,4-diamine is sourced from PubChem (CID 80763753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).