4-N-(2,2-dimethylcyclopropyl)quinazoline-4,6-diamine

C13H16N4 — CID 64589706

IUPAC4-N-(2,2-dimethylcyclopropyl)quinazoline-4,6-diamine
SMILESCC1(C)CC1Nc1ncnc2ccc(N)cc12
InChIInChI=1S/C13H16N4/c1-13(2)6-11(13)17-12-9-5-8(14)3-4-10(9)15-7-16-12/h3-5,7,11H,6,14H2,1-2H3,(H,15,16,17)
InChIKeyKMKBOGIGAYJCOE-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.42
Rot. Bonds2

About 4-N-(2,2-dimethylcyclopropyl)quinazoline-4,6-diamine

4-N-(2,2-dimethylcyclopropyl)quinazoline-4,6-diamine (PubChem CID 64589706) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 4-N-(2,2-dimethylcyclopropyl)quinazoline-4,6-diamine.

Molecular Properties

Compound Name4-N-(2,2-dimethylcyclopropyl)quinazoline-4,6-diamine
PubChem CID64589706
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name4-N-(2,2-dimethylcyclopropyl)quinazoline-4,6-diamine
SMILESCC1(C)CC1Nc1ncnc2ccc(N)cc12
InChIInChI=1S/C13H16N4/c1-13(2)6-11(13)17-12-9-5-8(14)3-4-10(9)15-7-16-12/h3-5,7,11H,6,14H2,1-2H3,(H,15,16,17)
InChIKeyKMKBOGIGAYJCOE-UHFFFAOYSA-N
XLogP2.42
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-N-(3-methylcyclobutyl)quinazoline-4,6-diamine
CID 113467100
ethane;4-N-methylquinazoline-4,6-diamine
CID 91218753
4-[(6-aminoquinazolin-4-yl)amino]cyclohexan-1-ol
CID 64587470
4-N-(3-ethyl-2-methylcyclopentyl)quinazoline-4,6-diamine
CID 64921714
5-[(6-aminoquinazolin-4-yl)amino]piperidin-2-one
CID 64590107
4-N-(4-iodophenyl)quinazoline-4,6-diamine
CID 64588865
4-N-[4-(4-methylpiperazin-1-yl)cyclohexyl]quinazoline-4,6-diamine
CID 146237654
4-N-(2,2-dimethylcyclopropyl)quinoline-4,7-diamine
CID 103000945
4-N-(1,1-dioxothian-3-yl)quinazoline-4,6-diamine
CID 64588325
4-N-(1-ethylcyclobutyl)quinazoline-4,6-diamine
CID 113488590
4-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)quinazoline-4,6-diamine
CID 64588910
2,2-dimethyl-3-[(6-nitroquinazolin-4-yl)amino]cyclobutan-1-ol
CID 114630070

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,2-dimethylcyclopropyl)quinazoline-4,6-diamine?
The IUPAC name of 4-N-(2,2-dimethylcyclopropyl)quinazoline-4,6-diamine (CID 64589706) is 4-N-(2,2-dimethylcyclopropyl)quinazoline-4,6-diamine.
What is the SMILES notation for 4-N-(2,2-dimethylcyclopropyl)quinazoline-4,6-diamine?
The canonical SMILES for 4-N-(2,2-dimethylcyclopropyl)quinazoline-4,6-diamine is CC1(C)CC1Nc1ncnc2ccc(N)cc12.
What is the InChIKey of 4-N-(2,2-dimethylcyclopropyl)quinazoline-4,6-diamine?
The InChIKey is KMKBOGIGAYJCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-13(2)6-11(13)17-12-9-5-8(14)3-4-10(9)15-7-16-12/h3-5,7,11H,6,14H2,1-2H3,(H,15,16,17).
What are the key properties of 4-N-(2,2-dimethylcyclopropyl)quinazoline-4,6-diamine?
4-N-(2,2-dimethylcyclopropyl)quinazoline-4,6-diamine has a molecular weight of 228.30 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,2-dimethylcyclopropyl)quinazoline-4,6-diamine is sourced from PubChem (CID 64589706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).