4-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-N-methylquinazoline-2,4-diamine

C16H23N5 — CID 80775529

IUPAC4-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-N-methylquinazoline-2,4-diamine
SMILESCCN1CCC(CNc2nc(NC)nc3ccccc23)C1
InChIInChI=1S/C16H23N5/c1-3-21-9-8-12(11-21)10-18-15-13-6-4-5-7-14(13)19-16(17-2)20-15/h4-7,12H,3,8-11H2,1-2H3,(H2,17,18,19,20)
InChIKeyDEIMIHXBECWRNK-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.43
Rot. Bonds5

About 4-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-N-methylquinazoline-2,4-diamine

4-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-N-methylquinazoline-2,4-diamine (PubChem CID 80775529) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-N-methylquinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-N-methylquinazoline-2,4-diamine
PubChem CID80775529
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name4-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-N-methylquinazoline-2,4-diamine
SMILESCCN1CCC(CNc2nc(NC)nc3ccccc23)C1
InChIInChI=1S/C16H23N5/c1-3-21-9-8-12(11-21)10-18-15-13-6-4-5-7-14(13)19-16(17-2)20-15/h4-7,12H,3,8-11H2,1-2H3,(H2,17,18,19,20)
InChIKeyDEIMIHXBECWRNK-UHFFFAOYSA-N
XLogP2.43
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-N-methylquinazoline-2,4-diamine?
The IUPAC name of 4-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-N-methylquinazoline-2,4-diamine (CID 80775529) is 4-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-N-methylquinazoline-2,4-diamine.
What is the SMILES notation for 4-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-N-methylquinazoline-2,4-diamine?
The canonical SMILES for 4-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-N-methylquinazoline-2,4-diamine is CCN1CCC(CNc2nc(NC)nc3ccccc23)C1.
What is the InChIKey of 4-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-N-methylquinazoline-2,4-diamine?
The InChIKey is DEIMIHXBECWRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-3-21-9-8-12(11-21)10-18-15-13-6-4-5-7-14(13)19-16(17-2)20-15/h4-7,12H,3,8-11H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 4-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-N-methylquinazoline-2,4-diamine?
4-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-N-methylquinazoline-2,4-diamine has a molecular weight of 285.39 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-N-methylquinazoline-2,4-diamine is sourced from PubChem (CID 80775529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).