4-N-[(3R)-hexan-3-yl]-5-methylquinazoline-2,4-diamine

C15H22N4 — CID 71041918

IUPAC4-N-[(3R)-hexan-3-yl]-5-methylquinazoline-2,4-diamine
SMILESCCC[C@@H](CC)Nc1nc(N)nc2cccc(C)c12
InChIInChI=1S/C15H22N4/c1-4-7-11(5-2)17-14-13-10(3)8-6-9-12(13)18-15(16)19-14/h6,8-9,11H,4-5,7H2,1-3H3,(H3,16,17,18,19)/t11-/m1/s1
InChIKeyGGCCUBHZALVAQR-LLVKDONJSA-N
MW258.37 g/mol
LogP3.51
Rot. Bonds5

About 4-N-[(3R)-hexan-3-yl]-5-methylquinazoline-2,4-diamine

4-N-[(3R)-hexan-3-yl]-5-methylquinazoline-2,4-diamine (PubChem CID 71041918) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 4-N-[(3R)-hexan-3-yl]-5-methylquinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-[(3R)-hexan-3-yl]-5-methylquinazoline-2,4-diamine
PubChem CID71041918
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name4-N-[(3R)-hexan-3-yl]-5-methylquinazoline-2,4-diamine
SMILESCCC[C@@H](CC)Nc1nc(N)nc2cccc(C)c12
InChIInChI=1S/C15H22N4/c1-4-7-11(5-2)17-14-13-10(3)8-6-9-12(13)18-15(16)19-14/h6,8-9,11H,4-5,7H2,1-3H3,(H3,16,17,18,19)/t11-/m1/s1
InChIKeyGGCCUBHZALVAQR-LLVKDONJSA-N
XLogP3.51
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-[(3R)-hexan-3-yl]-5-methylquinazoline-2,4-diamine?
The IUPAC name of 4-N-[(3R)-hexan-3-yl]-5-methylquinazoline-2,4-diamine (CID 71041918) is 4-N-[(3R)-hexan-3-yl]-5-methylquinazoline-2,4-diamine.
What is the SMILES notation for 4-N-[(3R)-hexan-3-yl]-5-methylquinazoline-2,4-diamine?
The canonical SMILES for 4-N-[(3R)-hexan-3-yl]-5-methylquinazoline-2,4-diamine is CCC[C@@H](CC)Nc1nc(N)nc2cccc(C)c12.
What is the InChIKey of 4-N-[(3R)-hexan-3-yl]-5-methylquinazoline-2,4-diamine?
The InChIKey is GGCCUBHZALVAQR-LLVKDONJSA-N. The full InChI is InChI=1S/C15H22N4/c1-4-7-11(5-2)17-14-13-10(3)8-6-9-12(13)18-15(16)19-14/h6,8-9,11H,4-5,7H2,1-3H3,(H3,16,17,18,19)/t11-/m1/s1.
What are the key properties of 4-N-[(3R)-hexan-3-yl]-5-methylquinazoline-2,4-diamine?
4-N-[(3R)-hexan-3-yl]-5-methylquinazoline-2,4-diamine has a molecular weight of 258.37 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(3R)-hexan-3-yl]-5-methylquinazoline-2,4-diamine is sourced from PubChem (CID 71041918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).