2-methyl-2-(quinazolin-4-ylamino)butan-1-ol

C13H17N3O — CID 64555655

IUPAC2-methyl-2-(quinazolin-4-ylamino)butan-1-ol
SMILESCCC(C)(CO)Nc1ncnc2ccccc12
InChIInChI=1S/C13H17N3O/c1-3-13(2,8-17)16-12-10-6-4-5-7-11(10)14-9-15-12/h4-7,9,17H,3,8H2,1-2H3,(H,14,15,16)
InChIKeyPLWFWVZDKIHOCM-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.20
Rot. Bonds4

About 2-methyl-2-(quinazolin-4-ylamino)butan-1-ol

2-methyl-2-(quinazolin-4-ylamino)butan-1-ol (PubChem CID 64555655) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-methyl-2-(quinazolin-4-ylamino)butan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(quinazolin-4-ylamino)butan-1-ol
PubChem CID64555655
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-methyl-2-(quinazolin-4-ylamino)butan-1-ol
SMILESCCC(C)(CO)Nc1ncnc2ccccc12
InChIInChI=1S/C13H17N3O/c1-3-13(2,8-17)16-12-10-6-4-5-7-11(10)14-9-15-12/h4-7,9,17H,3,8H2,1-2H3,(H,14,15,16)
InChIKeyPLWFWVZDKIHOCM-UHFFFAOYSA-N
XLogP2.20
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-2-(quinazolin-4-ylamino)butanoic acid
CID 79806959
N-[1-chloro-2-(chloromethyl)butan-2-yl]quinazolin-4-amine
CID 107867363
2-methyl-2-(quinazolin-4-ylamino)propanoic acid
CID 61261745
N-[2-methyl-1-(2-methylphenoxy)propan-2-yl]quinazolin-4-amine
CID 20545409
3-methyl-4-(quinazolin-4-ylamino)butan-1-ol
CID 66106208
2-methyl-1-(quinazolin-4-ylamino)pentan-2-ol
CID 113234742
2-(ethylamino)-2-methyl-5-quinazolin-4-ylsulfanylpentan-1-ol
CID 64808507
2-[2-[2-(quinazolin-4-ylamino)ethyl]phenyl]ethanol
CID 67890696
2-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-2-methylbutan-1-ol
CID 66327907
N-ethylquinazolin-4-amine;fluorobenzene
CID 174725840
2-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]-2-methylbutan-1-ol
CID 64550149
3-[[2-(ethylamino)quinazolin-4-yl]amino]-3-methylpentan-1-ol
CID 106179198

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(quinazolin-4-ylamino)butan-1-ol?
The IUPAC name of 2-methyl-2-(quinazolin-4-ylamino)butan-1-ol (CID 64555655) is 2-methyl-2-(quinazolin-4-ylamino)butan-1-ol.
What is the SMILES notation for 2-methyl-2-(quinazolin-4-ylamino)butan-1-ol?
The canonical SMILES for 2-methyl-2-(quinazolin-4-ylamino)butan-1-ol is CCC(C)(CO)Nc1ncnc2ccccc12.
What is the InChIKey of 2-methyl-2-(quinazolin-4-ylamino)butan-1-ol?
The InChIKey is PLWFWVZDKIHOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-3-13(2,8-17)16-12-10-6-4-5-7-11(10)14-9-15-12/h4-7,9,17H,3,8H2,1-2H3,(H,14,15,16).
What are the key properties of 2-methyl-2-(quinazolin-4-ylamino)butan-1-ol?
2-methyl-2-(quinazolin-4-ylamino)butan-1-ol has a molecular weight of 231.30 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(quinazolin-4-ylamino)butan-1-ol is sourced from PubChem (CID 64555655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).