3-[(2-aminoquinazolin-4-yl)amino]butan-1-ol

C12H16N4O — CID 83179969

IUPAC3-[(2-aminoquinazolin-4-yl)amino]butan-1-ol
SMILESCC(CCO)Nc1nc(N)nc2ccccc12
InChIInChI=1S/C12H16N4O/c1-8(6-7-17)14-11-9-4-2-3-5-10(9)15-12(13)16-11/h2-5,8,17H,6-7H2,1H3,(H3,13,14,15,16)
InChIKeyUBXNBKKEQGUOIJ-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.39
Rot. Bonds4

About 3-[(2-aminoquinazolin-4-yl)amino]butan-1-ol

3-[(2-aminoquinazolin-4-yl)amino]butan-1-ol (PubChem CID 83179969) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 3-[(2-aminoquinazolin-4-yl)amino]butan-1-ol.

Molecular Properties

Compound Name3-[(2-aminoquinazolin-4-yl)amino]butan-1-ol
PubChem CID83179969
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name3-[(2-aminoquinazolin-4-yl)amino]butan-1-ol
SMILESCC(CCO)Nc1nc(N)nc2ccccc12
InChIInChI=1S/C12H16N4O/c1-8(6-7-17)14-11-9-4-2-3-5-10(9)15-12(13)16-11/h2-5,8,17H,6-7H2,1H3,(H3,13,14,15,16)
InChIKeyUBXNBKKEQGUOIJ-UHFFFAOYSA-N
XLogP1.39
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(1-methoxypropan-2-yl)quinazoline-2,4-diamine
CID 80786097
4-N-(1-thiophen-3-ylpropan-2-yl)quinazoline-2,4-diamine
CID 80800246
3-[[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]quinazolin-4-yl]amino]butan-1-ol
CID 58966833
4-N-(2-methylpropyl)quinazoline-2,4-diamine
CID 80770158
4-N-(4-methylpentyl)quinazoline-2,4-diamine
CID 80831388
4-N-[1-(4-methylphenyl)ethyl]quinazoline-2,4-diamine
CID 80783257
2-[(2-aminoquinazolin-4-yl)amino]-N-ethyl-N-methylpropanamide
CID 103114058
4-N-[1-(4-bromophenyl)ethyl]quinazoline-2,4-diamine
CID 80784422
2-N-ethyl-4-N-pentan-2-ylquinazoline-2,4-diamine
CID 80770804
2-hydrazinyl-N-(4-methoxybutan-2-yl)quinazolin-4-amine
CID 80914929
N-butan-2-yl-2-hydrazinylquinazolin-4-amine
CID 80932741
4-(5-methylhexan-2-ylamino)quinazoline-2-carboxylic acid
CID 62405684

Frequently Asked Questions

What is the IUPAC name of 3-[(2-aminoquinazolin-4-yl)amino]butan-1-ol?
The IUPAC name of 3-[(2-aminoquinazolin-4-yl)amino]butan-1-ol (CID 83179969) is 3-[(2-aminoquinazolin-4-yl)amino]butan-1-ol.
What is the SMILES notation for 3-[(2-aminoquinazolin-4-yl)amino]butan-1-ol?
The canonical SMILES for 3-[(2-aminoquinazolin-4-yl)amino]butan-1-ol is CC(CCO)Nc1nc(N)nc2ccccc12.
What is the InChIKey of 3-[(2-aminoquinazolin-4-yl)amino]butan-1-ol?
The InChIKey is UBXNBKKEQGUOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-8(6-7-17)14-11-9-4-2-3-5-10(9)15-12(13)16-11/h2-5,8,17H,6-7H2,1H3,(H3,13,14,15,16).
What are the key properties of 3-[(2-aminoquinazolin-4-yl)amino]butan-1-ol?
3-[(2-aminoquinazolin-4-yl)amino]butan-1-ol has a molecular weight of 232.29 g/mol, XLogP of 1.39, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-aminoquinazolin-4-yl)amino]butan-1-ol is sourced from PubChem (CID 83179969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).