4-N,4-N-dimethyl-2-N-(4-propylcyclohexyl)-6,7-dihydroquinazoline-2,4-diamine

C19H30N4 — CID 142231366

IUPAC4-N,4-N-dimethyl-2-N-(4-propylcyclohexyl)-6,7-dihydroquinazoline-2,4-diamine
SMILESCCCC1CCC(Nc2nc(N(C)C)c3c(n2)=CCCC=3)CC1
InChIInChI=1S/C19H30N4/c1-4-7-14-10-12-15(13-11-14)20-19-21-17-9-6-5-8-16(17)18(22-19)23(2)3/h8-9,14-15H,4-7,10-13H2,1-3H3,(H,20,21)
InChIKeyPNPXAUQXOOPBJN-UHFFFAOYSA-N
MW314.48 g/mol
LogP2.67
Rot. Bonds5

About 4-N,4-N-dimethyl-2-N-(4-propylcyclohexyl)-6,7-dihydroquinazoline-2,4-diamine

4-N,4-N-dimethyl-2-N-(4-propylcyclohexyl)-6,7-dihydroquinazoline-2,4-diamine (PubChem CID 142231366) has the molecular formula C19H30N4 and a molecular weight of 314.48 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-2-N-(4-propylcyclohexyl)-6,7-dihydroquinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-2-N-(4-propylcyclohexyl)-6,7-dihydroquinazoline-2,4-diamine
PubChem CID142231366
Molecular FormulaC19H30N4
Molecular Weight314.48 g/mol
Exact Mass314.25
IUPAC Name4-N,4-N-dimethyl-2-N-(4-propylcyclohexyl)-6,7-dihydroquinazoline-2,4-diamine
SMILESCCCC1CCC(Nc2nc(N(C)C)c3c(n2)=CCCC=3)CC1
InChIInChI=1S/C19H30N4/c1-4-7-14-10-12-15(13-11-14)20-19-21-17-9-6-5-8-16(17)18(22-19)23(2)3/h8-9,14-15H,4-7,10-13H2,1-3H3,(H,20,21)
InChIKeyPNPXAUQXOOPBJN-UHFFFAOYSA-N
XLogP2.67
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.48
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-2-N-(4-propylcyclohexyl)-6,7-dihydroquinazoline-2,4-diamine?
The IUPAC name of 4-N,4-N-dimethyl-2-N-(4-propylcyclohexyl)-6,7-dihydroquinazoline-2,4-diamine (CID 142231366) is 4-N,4-N-dimethyl-2-N-(4-propylcyclohexyl)-6,7-dihydroquinazoline-2,4-diamine.
What is the SMILES notation for 4-N,4-N-dimethyl-2-N-(4-propylcyclohexyl)-6,7-dihydroquinazoline-2,4-diamine?
The canonical SMILES for 4-N,4-N-dimethyl-2-N-(4-propylcyclohexyl)-6,7-dihydroquinazoline-2,4-diamine is CCCC1CCC(Nc2nc(N(C)C)c3c(n2)=CCCC=3)CC1.
What is the InChIKey of 4-N,4-N-dimethyl-2-N-(4-propylcyclohexyl)-6,7-dihydroquinazoline-2,4-diamine?
The InChIKey is PNPXAUQXOOPBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4/c1-4-7-14-10-12-15(13-11-14)20-19-21-17-9-6-5-8-16(17)18(22-19)23(2)3/h8-9,14-15H,4-7,10-13H2,1-3H3,(H,20,21).
What are the key properties of 4-N,4-N-dimethyl-2-N-(4-propylcyclohexyl)-6,7-dihydroquinazoline-2,4-diamine?
4-N,4-N-dimethyl-2-N-(4-propylcyclohexyl)-6,7-dihydroquinazoline-2,4-diamine has a molecular weight of 314.48 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-2-N-(4-propylcyclohexyl)-6,7-dihydroquinazoline-2,4-diamine is sourced from PubChem (CID 142231366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).