4-N-(cyclopentylmethyl)-2-N-methylquinazoline-2,4-diamine

C15H20N4 — CID 80783719

IUPAC4-N-(cyclopentylmethyl)-2-N-methylquinazoline-2,4-diamine
SMILESCNc1nc(NCC2CCCC2)c2ccccc2n1
InChIInChI=1S/C15H20N4/c1-16-15-18-13-9-5-4-8-12(13)14(19-15)17-10-11-6-2-3-7-11/h4-5,8-9,11H,2-3,6-7,10H2,1H3,(H2,16,17,18,19)
InChIKeyLSKMBYQAMXOJAH-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.27
Rot. Bonds4

About 4-N-(cyclopentylmethyl)-2-N-methylquinazoline-2,4-diamine

4-N-(cyclopentylmethyl)-2-N-methylquinazoline-2,4-diamine (PubChem CID 80783719) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-N-(cyclopentylmethyl)-2-N-methylquinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-(cyclopentylmethyl)-2-N-methylquinazoline-2,4-diamine
PubChem CID80783719
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name4-N-(cyclopentylmethyl)-2-N-methylquinazoline-2,4-diamine
SMILESCNc1nc(NCC2CCCC2)c2ccccc2n1
InChIInChI=1S/C15H20N4/c1-16-15-18-13-9-5-4-8-12(13)14(19-15)17-10-11-6-2-3-7-11/h4-5,8-9,11H,2-3,6-7,10H2,1H3,(H2,16,17,18,19)
InChIKeyLSKMBYQAMXOJAH-UHFFFAOYSA-N
XLogP3.27
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(cyclopentylmethyl)-2-N-methylquinazoline-2,4-diamine?
The IUPAC name of 4-N-(cyclopentylmethyl)-2-N-methylquinazoline-2,4-diamine (CID 80783719) is 4-N-(cyclopentylmethyl)-2-N-methylquinazoline-2,4-diamine.
What is the SMILES notation for 4-N-(cyclopentylmethyl)-2-N-methylquinazoline-2,4-diamine?
The canonical SMILES for 4-N-(cyclopentylmethyl)-2-N-methylquinazoline-2,4-diamine is CNc1nc(NCC2CCCC2)c2ccccc2n1.
What is the InChIKey of 4-N-(cyclopentylmethyl)-2-N-methylquinazoline-2,4-diamine?
The InChIKey is LSKMBYQAMXOJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-16-15-18-13-9-5-4-8-12(13)14(19-15)17-10-11-6-2-3-7-11/h4-5,8-9,11H,2-3,6-7,10H2,1H3,(H2,16,17,18,19).
What are the key properties of 4-N-(cyclopentylmethyl)-2-N-methylquinazoline-2,4-diamine?
4-N-(cyclopentylmethyl)-2-N-methylquinazoline-2,4-diamine has a molecular weight of 256.35 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(cyclopentylmethyl)-2-N-methylquinazoline-2,4-diamine is sourced from PubChem (CID 80783719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).