8-bromo-2-N-(cyclobutylmethyl)-4-N-[(1R)-1-cyclopropylethyl]quinazoline-2,4-diamine

C18H23BrN4 — CID 155046233

IUPAC8-bromo-2-N-(cyclobutylmethyl)-4-N-[(1R)-1-cyclopropylethyl]quinazoline-2,4-diamine
SMILESC[C@@H](Nc1nc(NCC2CCC2)nc2c(Br)cccc12)C1CC1
InChIInChI=1S/C18H23BrN4/c1-11(13-8-9-13)21-17-14-6-3-7-15(19)16(14)22-18(23-17)20-10-12-4-2-5-12/h3,6-7,11-13H,2,4-5,8-10H2,1H3,(H2,20,21,22,23)/t11-/m1/s1
InChIKeyQSELNGZDAWTRCQ-LLVKDONJSA-N
MW375.31 g/mol
LogP4.81
Rot. Bonds6

About 8-bromo-2-N-(cyclobutylmethyl)-4-N-[(1R)-1-cyclopropylethyl]quinazoline-2,4-diamine

8-bromo-2-N-(cyclobutylmethyl)-4-N-[(1R)-1-cyclopropylethyl]quinazoline-2,4-diamine (PubChem CID 155046233) has the molecular formula C18H23BrN4 and a molecular weight of 375.31 g/mol. Its IUPAC name is 8-bromo-2-N-(cyclobutylmethyl)-4-N-[(1R)-1-cyclopropylethyl]quinazoline-2,4-diamine.

Molecular Properties

Compound Name8-bromo-2-N-(cyclobutylmethyl)-4-N-[(1R)-1-cyclopropylethyl]quinazoline-2,4-diamine
PubChem CID155046233
Molecular FormulaC18H23BrN4
Molecular Weight375.31 g/mol
Exact Mass374.11
IUPAC Name8-bromo-2-N-(cyclobutylmethyl)-4-N-[(1R)-1-cyclopropylethyl]quinazoline-2,4-diamine
SMILESC[C@@H](Nc1nc(NCC2CCC2)nc2c(Br)cccc12)C1CC1
InChIInChI=1S/C18H23BrN4/c1-11(13-8-9-13)21-17-14-6-3-7-15(19)16(14)22-18(23-17)20-10-12-4-2-5-12/h3,6-7,11-13H,2,4-5,8-10H2,1H3,(H2,20,21,22,23)/t11-/m1/s1
InChIKeyQSELNGZDAWTRCQ-LLVKDONJSA-N
XLogP4.81
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.31
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 8-bromo-2-N-(cyclobutylmethyl)-4-N-[(1R)-1-cyclopropylethyl]quinazoline-2,4-diamine with MolForge

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Related Compounds

8-bromo-2-N-(cyclohexylmethyl)-4-N-[(1R)-1-cyclopropylethyl]quinazoline-2,4-diamine
CID 155046229
8-bromo-4-N-(1-cyclopropylethyl)-2-N-[(4-methylcyclohexyl)methyl]quinazoline-2,4-diamine
CID 135382723
2-N-(cyclopentylmethyl)-4-N-[(1R)-1-cyclopropylethyl]quinazoline-2,4-diamine
CID 142474384
2-N-(cycloheptylmethyl)-4-N-(1-cyclopropylethyl)quinazoline-2,4-diamine
CID 164754230
8-bromo-2-N-[(3-chloro-4-fluorophenyl)methyl]-4-N-[(1R)-1-cyclopropylethyl]quinazoline-2,4-diamine
CID 155046228
8-(2-aminoethyl)-2-N-(cyclohexylmethyl)-4-N-(dicyclopropylmethyl)quinazoline-2,4-diamine
CID 142474370
8-bromo-N-(cyclohexylmethyl)-2-methylquinolin-4-amine
CID 137442686
N-(2-bromophenyl)sulfanylmethanamine;2-N-(cyclohexylmethyl)-4-N-methylquinazoline-2,4-diamine
CID 142231487
2-N-[(2-chloro-3-methylphenyl)methyl]-4-N-[(1R)-1-cyclopropylethyl]quinazoline-2,4-diamine
CID 162040458
2-N-(1-cyclopropylethyl)-4-N-(cyclopropylmethyl)-6-pyridin-4-yl-1,3,5-triazine-2,4-diamine
CID 146258694
[3-[4-[[(1R)-1-cyclopropylethyl]amino]-6-(cyclopropylmethylamino)-1,3,5-triazin-2-yl]phenyl]methanol
CID 126624883
6-(4-chlorophenyl)-2-N-(1-cyclopropylethyl)-4-N-(cyclopropylmethyl)-1,3,5-triazine-2,4-diamine
CID 146258692

Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-N-(cyclobutylmethyl)-4-N-[(1R)-1-cyclopropylethyl]quinazoline-2,4-diamine?
The IUPAC name of 8-bromo-2-N-(cyclobutylmethyl)-4-N-[(1R)-1-cyclopropylethyl]quinazoline-2,4-diamine (CID 155046233) is 8-bromo-2-N-(cyclobutylmethyl)-4-N-[(1R)-1-cyclopropylethyl]quinazoline-2,4-diamine.
What is the SMILES notation for 8-bromo-2-N-(cyclobutylmethyl)-4-N-[(1R)-1-cyclopropylethyl]quinazoline-2,4-diamine?
The canonical SMILES for 8-bromo-2-N-(cyclobutylmethyl)-4-N-[(1R)-1-cyclopropylethyl]quinazoline-2,4-diamine is C[C@@H](Nc1nc(NCC2CCC2)nc2c(Br)cccc12)C1CC1.
What is the InChIKey of 8-bromo-2-N-(cyclobutylmethyl)-4-N-[(1R)-1-cyclopropylethyl]quinazoline-2,4-diamine?
The InChIKey is QSELNGZDAWTRCQ-LLVKDONJSA-N. The full InChI is InChI=1S/C18H23BrN4/c1-11(13-8-9-13)21-17-14-6-3-7-15(19)16(14)22-18(23-17)20-10-12-4-2-5-12/h3,6-7,11-13H,2,4-5,8-10H2,1H3,(H2,20,21,22,23)/t11-/m1/s1.
What are the key properties of 8-bromo-2-N-(cyclobutylmethyl)-4-N-[(1R)-1-cyclopropylethyl]quinazoline-2,4-diamine?
8-bromo-2-N-(cyclobutylmethyl)-4-N-[(1R)-1-cyclopropylethyl]quinazoline-2,4-diamine has a molecular weight of 375.31 g/mol, XLogP of 4.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-N-(cyclobutylmethyl)-4-N-[(1R)-1-cyclopropylethyl]quinazoline-2,4-diamine is sourced from PubChem (CID 155046233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).