4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]quinazoline-4,7-diamine

C16H22N4 — CID 79353456

IUPAC4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]quinazoline-4,7-diamine
SMILESCC1(C)C(CNc2ncnc3cc(N)ccc23)C1(C)C
InChIInChI=1S/C16H22N4/c1-15(2)13(16(15,3)4)8-18-14-11-6-5-10(17)7-12(11)19-9-20-14/h5-7,9,13H,8,17H2,1-4H3,(H,18,19,20)
InChIKeyBITPNXPLUKZWTN-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.31
Rot. Bonds3

About 4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]quinazoline-4,7-diamine

4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]quinazoline-4,7-diamine (PubChem CID 79353456) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]quinazoline-4,7-diamine.

Molecular Properties

Compound Name4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]quinazoline-4,7-diamine
PubChem CID79353456
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]quinazoline-4,7-diamine
SMILESCC1(C)C(CNc2ncnc3cc(N)ccc23)C1(C)C
InChIInChI=1S/C16H22N4/c1-15(2)13(16(15,3)4)8-18-14-11-6-5-10(17)7-12(11)19-9-20-14/h5-7,9,13H,8,17H2,1-4H3,(H,18,19,20)
InChIKeyBITPNXPLUKZWTN-UHFFFAOYSA-N
XLogP3.31
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]quinazoline-4,7-diamine?
The IUPAC name of 4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]quinazoline-4,7-diamine (CID 79353456) is 4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]quinazoline-4,7-diamine.
What is the SMILES notation for 4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]quinazoline-4,7-diamine?
The canonical SMILES for 4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]quinazoline-4,7-diamine is CC1(C)C(CNc2ncnc3cc(N)ccc23)C1(C)C.
What is the InChIKey of 4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]quinazoline-4,7-diamine?
The InChIKey is BITPNXPLUKZWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-15(2)13(16(15,3)4)8-18-14-11-6-5-10(17)7-12(11)19-9-20-14/h5-7,9,13H,8,17H2,1-4H3,(H,18,19,20).
What are the key properties of 4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]quinazoline-4,7-diamine?
4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]quinazoline-4,7-diamine has a molecular weight of 270.38 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]quinazoline-4,7-diamine is sourced from PubChem (CID 79353456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).