2-N-(cycloheptylmethyl)-4-N-(1-cyclopropylethyl)quinazoline-2,4-diamine

C21H30N4 — CID 164754230

IUPAC2-N-(cycloheptylmethyl)-4-N-(1-cyclopropylethyl)quinazoline-2,4-diamine
SMILESCC(Nc1nc(NCC2CCCCCC2)nc2ccccc12)C1CC1
InChIInChI=1S/C21H30N4/c1-15(17-12-13-17)23-20-18-10-6-7-11-19(18)24-21(25-20)22-14-16-8-4-2-3-5-9-16/h6-7,10-11,15-17H,2-5,8-9,12-14H2,1H3,(H2,22,23,24,25)
InChIKeyQFOXWRJDNSFOLN-UHFFFAOYSA-N
MW338.50 g/mol
LogP5.22
Rot. Bonds6

About 2-N-(cycloheptylmethyl)-4-N-(1-cyclopropylethyl)quinazoline-2,4-diamine

2-N-(cycloheptylmethyl)-4-N-(1-cyclopropylethyl)quinazoline-2,4-diamine (PubChem CID 164754230) has the molecular formula C21H30N4 and a molecular weight of 338.50 g/mol. Its IUPAC name is 2-N-(cycloheptylmethyl)-4-N-(1-cyclopropylethyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-(cycloheptylmethyl)-4-N-(1-cyclopropylethyl)quinazoline-2,4-diamine
PubChem CID164754230
Molecular FormulaC21H30N4
Molecular Weight338.50 g/mol
Exact Mass338.25
IUPAC Name2-N-(cycloheptylmethyl)-4-N-(1-cyclopropylethyl)quinazoline-2,4-diamine
SMILESCC(Nc1nc(NCC2CCCCCC2)nc2ccccc12)C1CC1
InChIInChI=1S/C21H30N4/c1-15(17-12-13-17)23-20-18-10-6-7-11-19(18)24-21(25-20)22-14-16-8-4-2-3-5-9-16/h6-7,10-11,15-17H,2-5,8-9,12-14H2,1H3,(H2,22,23,24,25)
InChIKeyQFOXWRJDNSFOLN-UHFFFAOYSA-N
XLogP5.22
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.50
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(cyclopentylmethyl)-4-N-[(1R)-1-cyclopropylethyl]quinazoline-2,4-diamine
CID 142474384
8-bromo-2-N-(cyclohexylmethyl)-4-N-[(1R)-1-cyclopropylethyl]quinazoline-2,4-diamine
CID 155046229
8-bromo-2-N-(cyclobutylmethyl)-4-N-[(1R)-1-cyclopropylethyl]quinazoline-2,4-diamine
CID 155046233
4-N-(cyclopentylmethyl)-2-N-methylquinazoline-2,4-diamine
CID 80783719
2-N-[(2-chloro-3-methylphenyl)methyl]-4-N-[(1R)-1-cyclopropylethyl]quinazoline-2,4-diamine
CID 162040458
N-(2-bromophenyl)sulfanylmethanamine;2-N-(cyclohexylmethyl)-4-N-methylquinazoline-2,4-diamine
CID 142231487
8-bromo-4-N-(1-cyclopropylethyl)-2-N-[(4-methylcyclohexyl)methyl]quinazoline-2,4-diamine
CID 135382723
4-N-(cyclopropylmethyl)-2-N-ethylquinazoline-2,4-diamine
CID 80770778
2-N-ethyl-4-N-[1-(oxolan-2-yl)ethyl]quinazoline-2,4-diamine
CID 80776538
2-N-(3-chloro-4-fluorophenyl)-4-N-(1-cyclopentylethyl)quinazoline-2,4-diamine
CID 164754266
8-(2-aminoethyl)-2-N-(cyclohexylmethyl)-4-N-(dicyclopropylmethyl)quinazoline-2,4-diamine
CID 142474370
2-chloro-N-(cyclobutylmethyl)quinazolin-4-amine
CID 62477691

Frequently Asked Questions

What is the IUPAC name of 2-N-(cycloheptylmethyl)-4-N-(1-cyclopropylethyl)quinazoline-2,4-diamine?
The IUPAC name of 2-N-(cycloheptylmethyl)-4-N-(1-cyclopropylethyl)quinazoline-2,4-diamine (CID 164754230) is 2-N-(cycloheptylmethyl)-4-N-(1-cyclopropylethyl)quinazoline-2,4-diamine.
What is the SMILES notation for 2-N-(cycloheptylmethyl)-4-N-(1-cyclopropylethyl)quinazoline-2,4-diamine?
The canonical SMILES for 2-N-(cycloheptylmethyl)-4-N-(1-cyclopropylethyl)quinazoline-2,4-diamine is CC(Nc1nc(NCC2CCCCCC2)nc2ccccc12)C1CC1.
What is the InChIKey of 2-N-(cycloheptylmethyl)-4-N-(1-cyclopropylethyl)quinazoline-2,4-diamine?
The InChIKey is QFOXWRJDNSFOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4/c1-15(17-12-13-17)23-20-18-10-6-7-11-19(18)24-21(25-20)22-14-16-8-4-2-3-5-9-16/h6-7,10-11,15-17H,2-5,8-9,12-14H2,1H3,(H2,22,23,24,25).
What are the key properties of 2-N-(cycloheptylmethyl)-4-N-(1-cyclopropylethyl)quinazoline-2,4-diamine?
2-N-(cycloheptylmethyl)-4-N-(1-cyclopropylethyl)quinazoline-2,4-diamine has a molecular weight of 338.50 g/mol, XLogP of 5.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(cycloheptylmethyl)-4-N-(1-cyclopropylethyl)quinazoline-2,4-diamine is sourced from PubChem (CID 164754230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).