8-(2-aminoethyl)-2-N-(cyclohexylmethyl)-4-N-(dicyclopropylmethyl)quinazoline-2,4-diamine

C24H35N5 — CID 142474370

IUPAC8-(2-aminoethyl)-2-N-(cyclohexylmethyl)-4-N-(dicyclopropylmethyl)quinazoline-2,4-diamine
SMILESNCCc1cccc2c(NC(C3CC3)C3CC3)nc(NCC3CCCCC3)nc12
InChIInChI=1S/C24H35N5/c25-14-13-17-7-4-8-20-22(17)28-24(26-15-16-5-2-1-3-6-16)29-23(20)27-21(18-9-10-18)19-11-12-19/h4,7-8,16,18-19,21H,1-3,5-6,9-15,25H2,(H2,26,27,28,29)
InChIKeyVVZFXPZFCHWJHC-UHFFFAOYSA-N
MW393.58 g/mol
LogP4.72
Rot. Bonds9

About 8-(2-aminoethyl)-2-N-(cyclohexylmethyl)-4-N-(dicyclopropylmethyl)quinazoline-2,4-diamine

8-(2-aminoethyl)-2-N-(cyclohexylmethyl)-4-N-(dicyclopropylmethyl)quinazoline-2,4-diamine (PubChem CID 142474370) has the molecular formula C24H35N5 and a molecular weight of 393.58 g/mol. Its IUPAC name is 8-(2-aminoethyl)-2-N-(cyclohexylmethyl)-4-N-(dicyclopropylmethyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name8-(2-aminoethyl)-2-N-(cyclohexylmethyl)-4-N-(dicyclopropylmethyl)quinazoline-2,4-diamine
PubChem CID142474370
Molecular FormulaC24H35N5
Molecular Weight393.58 g/mol
Exact Mass393.29
IUPAC Name8-(2-aminoethyl)-2-N-(cyclohexylmethyl)-4-N-(dicyclopropylmethyl)quinazoline-2,4-diamine
SMILESNCCc1cccc2c(NC(C3CC3)C3CC3)nc(NCC3CCCCC3)nc12
InChIInChI=1S/C24H35N5/c25-14-13-17-7-4-8-20-22(17)28-24(26-15-16-5-2-1-3-6-16)29-23(20)27-21(18-9-10-18)19-11-12-19/h4,7-8,16,18-19,21H,1-3,5-6,9-15,25H2,(H2,26,27,28,29)
InChIKeyVVZFXPZFCHWJHC-UHFFFAOYSA-N
XLogP4.72
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.58
LogP ≤ 54.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(2-aminoethyl)-2-N-(cyclohexylmethyl)-4-N-(dicyclopropylmethyl)quinazoline-2,4-diamine?
The IUPAC name of 8-(2-aminoethyl)-2-N-(cyclohexylmethyl)-4-N-(dicyclopropylmethyl)quinazoline-2,4-diamine (CID 142474370) is 8-(2-aminoethyl)-2-N-(cyclohexylmethyl)-4-N-(dicyclopropylmethyl)quinazoline-2,4-diamine.
What is the SMILES notation for 8-(2-aminoethyl)-2-N-(cyclohexylmethyl)-4-N-(dicyclopropylmethyl)quinazoline-2,4-diamine?
The canonical SMILES for 8-(2-aminoethyl)-2-N-(cyclohexylmethyl)-4-N-(dicyclopropylmethyl)quinazoline-2,4-diamine is NCCc1cccc2c(NC(C3CC3)C3CC3)nc(NCC3CCCCC3)nc12.
What is the InChIKey of 8-(2-aminoethyl)-2-N-(cyclohexylmethyl)-4-N-(dicyclopropylmethyl)quinazoline-2,4-diamine?
The InChIKey is VVZFXPZFCHWJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5/c25-14-13-17-7-4-8-20-22(17)28-24(26-15-16-5-2-1-3-6-16)29-23(20)27-21(18-9-10-18)19-11-12-19/h4,7-8,16,18-19,21H,1-3,5-6,9-15,25H2,(H2,26,27,28,29).
What are the key properties of 8-(2-aminoethyl)-2-N-(cyclohexylmethyl)-4-N-(dicyclopropylmethyl)quinazoline-2,4-diamine?
8-(2-aminoethyl)-2-N-(cyclohexylmethyl)-4-N-(dicyclopropylmethyl)quinazoline-2,4-diamine has a molecular weight of 393.58 g/mol, XLogP of 4.72, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-aminoethyl)-2-N-(cyclohexylmethyl)-4-N-(dicyclopropylmethyl)quinazoline-2,4-diamine is sourced from PubChem (CID 142474370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).