4-N-(cyclopropylmethyl)-2-N-ethyl-4-N-propan-2-ylquinazoline-2,4-diamine

C17H24N4 — CID 80786859

IUPAC4-N-(cyclopropylmethyl)-2-N-ethyl-4-N-propan-2-ylquinazoline-2,4-diamine
SMILESCCNc1nc(N(CC2CC2)C(C)C)c2ccccc2n1
InChIInChI=1S/C17H24N4/c1-4-18-17-19-15-8-6-5-7-14(15)16(20-17)21(12(2)3)11-13-9-10-13/h5-8,12-13H,4,9-11H2,1-3H3,(H,18,19,20)
InChIKeyBIALMCMPLFICDJ-UHFFFAOYSA-N
MW284.41 g/mol
LogP3.69
Rot. Bonds6

About 4-N-(cyclopropylmethyl)-2-N-ethyl-4-N-propan-2-ylquinazoline-2,4-diamine

4-N-(cyclopropylmethyl)-2-N-ethyl-4-N-propan-2-ylquinazoline-2,4-diamine (PubChem CID 80786859) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 4-N-(cyclopropylmethyl)-2-N-ethyl-4-N-propan-2-ylquinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-(cyclopropylmethyl)-2-N-ethyl-4-N-propan-2-ylquinazoline-2,4-diamine
PubChem CID80786859
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name4-N-(cyclopropylmethyl)-2-N-ethyl-4-N-propan-2-ylquinazoline-2,4-diamine
SMILESCCNc1nc(N(CC2CC2)C(C)C)c2ccccc2n1
InChIInChI=1S/C17H24N4/c1-4-18-17-19-15-8-6-5-7-14(15)16(20-17)21(12(2)3)11-13-9-10-13/h5-8,12-13H,4,9-11H2,1-3H3,(H,18,19,20)
InChIKeyBIALMCMPLFICDJ-UHFFFAOYSA-N
XLogP3.69
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(cyclopropylmethyl)-2-N-ethyl-4-N-propan-2-ylquinazoline-2,4-diamine?
The IUPAC name of 4-N-(cyclopropylmethyl)-2-N-ethyl-4-N-propan-2-ylquinazoline-2,4-diamine (CID 80786859) is 4-N-(cyclopropylmethyl)-2-N-ethyl-4-N-propan-2-ylquinazoline-2,4-diamine.
What is the SMILES notation for 4-N-(cyclopropylmethyl)-2-N-ethyl-4-N-propan-2-ylquinazoline-2,4-diamine?
The canonical SMILES for 4-N-(cyclopropylmethyl)-2-N-ethyl-4-N-propan-2-ylquinazoline-2,4-diamine is CCNc1nc(N(CC2CC2)C(C)C)c2ccccc2n1.
What is the InChIKey of 4-N-(cyclopropylmethyl)-2-N-ethyl-4-N-propan-2-ylquinazoline-2,4-diamine?
The InChIKey is BIALMCMPLFICDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-4-18-17-19-15-8-6-5-7-14(15)16(20-17)21(12(2)3)11-13-9-10-13/h5-8,12-13H,4,9-11H2,1-3H3,(H,18,19,20).
What are the key properties of 4-N-(cyclopropylmethyl)-2-N-ethyl-4-N-propan-2-ylquinazoline-2,4-diamine?
4-N-(cyclopropylmethyl)-2-N-ethyl-4-N-propan-2-ylquinazoline-2,4-diamine has a molecular weight of 284.41 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(cyclopropylmethyl)-2-N-ethyl-4-N-propan-2-ylquinazoline-2,4-diamine is sourced from PubChem (CID 80786859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).