2-butan-2-yl-1H-quinazoline-2,4-diamine

C12H18N4 — CID 172826248

IUPAC2-butan-2-yl-1H-quinazoline-2,4-diamine
SMILESCCC(C)C1(N)N=C(N)c2ccccc2N1
InChIInChI=1S/C12H18N4/c1-3-8(2)12(14)15-10-7-5-4-6-9(10)11(13)16-12/h4-8,15H,3,14H2,1-2H3,(H2,13,16)
InChIKeyUXBLJWPPSRYHCK-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.48
Rot. Bonds2

About 2-butan-2-yl-1H-quinazoline-2,4-diamine

2-butan-2-yl-1H-quinazoline-2,4-diamine (PubChem CID 172826248) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-butan-2-yl-1H-quinazoline-2,4-diamine.

Molecular Properties

Compound Name2-butan-2-yl-1H-quinazoline-2,4-diamine
PubChem CID172826248
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name2-butan-2-yl-1H-quinazoline-2,4-diamine
SMILESCCC(C)C1(N)N=C(N)c2ccccc2N1
InChIInChI=1S/C12H18N4/c1-3-8(2)12(14)15-10-7-5-4-6-9(10)11(13)16-12/h4-8,15H,3,14H2,1-2H3,(H2,13,16)
InChIKeyUXBLJWPPSRYHCK-UHFFFAOYSA-N
XLogP1.48
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1H-quinazoline-2,4-diamine
CID 129165867
2,2-dimethyl-1H-quinazolin-4-amine;hydrochloride
CID 67569975
spiro[1H-quinazoline-2,1'-cyclohexane]-4-amine;hydrochloride
CID 67568659
8,10-diazatricyclo[7.1.1.02,7]undeca-1(10),2,4,6-tetraen-9-amine
CID 141414595
1'-methylsulfonylspiro[1H-quinazoline-2,4'-piperidine]-4-amine
CID 10859364
3-butan-2-yl-2,2-dimethyl-1H-quinazolin-4-one
CID 54779141
(4-aminospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(4-hydroxyphenyl)methanone
CID 21192745
(4-aminospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-(4-methoxyphenyl)methanone;hydrochloride
CID 67568356
4-amino-2-ethyl-1H-quinoline-2-carboxylic acid
CID 66747501
1'-(benzenesulfonyl)spiro[1H-quinazoline-2,4'-piperidine]-4-amine
CID 10970331
3-butan-2-yl-3-methyl-1H-indol-2-one
CID 70850477
1'-(3-methyl-1,2,4-oxadiazol-5-yl)spiro[1H-quinazoline-2,4'-piperidine]-4-amine;hydrochloride
CID 67569968

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-1H-quinazoline-2,4-diamine?
The IUPAC name of 2-butan-2-yl-1H-quinazoline-2,4-diamine (CID 172826248) is 2-butan-2-yl-1H-quinazoline-2,4-diamine.
What is the SMILES notation for 2-butan-2-yl-1H-quinazoline-2,4-diamine?
The canonical SMILES for 2-butan-2-yl-1H-quinazoline-2,4-diamine is CCC(C)C1(N)N=C(N)c2ccccc2N1.
What is the InChIKey of 2-butan-2-yl-1H-quinazoline-2,4-diamine?
The InChIKey is UXBLJWPPSRYHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-3-8(2)12(14)15-10-7-5-4-6-9(10)11(13)16-12/h4-8,15H,3,14H2,1-2H3,(H2,13,16).
What are the key properties of 2-butan-2-yl-1H-quinazoline-2,4-diamine?
2-butan-2-yl-1H-quinazoline-2,4-diamine has a molecular weight of 218.30 g/mol, XLogP of 1.48, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-1H-quinazoline-2,4-diamine is sourced from PubChem (CID 172826248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).