(2S)-3-methyl-2-[[2-(propylamino)quinazolin-4-yl]amino]butan-1-ol

C16H24N4O — CID 80835823

IUPAC(2S)-3-methyl-2-[[2-(propylamino)quinazolin-4-yl]amino]butan-1-ol
SMILESCCCNc1nc(N[C@H](CO)C(C)C)c2ccccc2n1
InChIInChI=1S/C16H24N4O/c1-4-9-17-16-19-13-8-6-5-7-12(13)15(20-16)18-14(10-21)11(2)3/h5-8,11,14,21H,4,9-10H2,1-3H3,(H2,17,18,19,20)/t14-/m1/s1
InChIKeyPWONNTZQOSDRQH-CQSZACIVSA-N
MW288.39 g/mol
LogP2.88
Rot. Bonds7

About (2S)-3-methyl-2-[[2-(propylamino)quinazolin-4-yl]amino]butan-1-ol

(2S)-3-methyl-2-[[2-(propylamino)quinazolin-4-yl]amino]butan-1-ol (PubChem CID 80835823) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is (2S)-3-methyl-2-[[2-(propylamino)quinazolin-4-yl]amino]butan-1-ol.

Molecular Properties

Compound Name(2S)-3-methyl-2-[[2-(propylamino)quinazolin-4-yl]amino]butan-1-ol
PubChem CID80835823
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name(2S)-3-methyl-2-[[2-(propylamino)quinazolin-4-yl]amino]butan-1-ol
SMILESCCCNc1nc(N[C@H](CO)C(C)C)c2ccccc2n1
InChIInChI=1S/C16H24N4O/c1-4-9-17-16-19-13-8-6-5-7-12(13)15(20-16)18-14(10-21)11(2)3/h5-8,11,14,21H,4,9-10H2,1-3H3,(H2,17,18,19,20)/t14-/m1/s1
InChIKeyPWONNTZQOSDRQH-CQSZACIVSA-N
XLogP2.88
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S)-3-methyl-2-[[2-(propylamino)quinazolin-4-yl]amino]butan-1-ol with MolForge

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Related Compounds

4-N-(3-methylbutan-2-yl)-2-N-propylquinazoline-2,4-diamine
CID 80753533
3-methoxy-2-[[2-(propylamino)quinazolin-4-yl]amino]propan-1-ol
CID 106198698
3-[[2-(ethylamino)quinazolin-4-yl]amino]-4-methylpentan-1-ol
CID 106358160
4-(3-methylbutylsulfanyl)-N-propylquinazolin-2-amine
CID 107765966
2-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-3-methylbutan-1-ol
CID 80849132
2-N-propyl-4-N-(2,2,2-trifluoroethyl)quinazoline-2,4-diamine
CID 80778175
2-N-ethyl-4-N-pentan-2-ylquinazoline-2,4-diamine
CID 80770804
N,N-dimethyl-2-[[2-(propylamino)quinazolin-4-yl]amino]acetamide
CID 80771008
4-N-(1-methoxy-3-methylbutan-2-yl)-2-N-methylquinazoline-2,4-diamine
CID 80841877
2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-3-methylbutan-1-ol
CID 80848823
2-[(2-hydrazinylquinazolin-4-yl)amino]-N-propylpropanamide
CID 80901097
2-[[2-(ethylamino)quinazolin-4-yl]amino]-N-methylpropanamide
CID 80803173

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-2-[[2-(propylamino)quinazolin-4-yl]amino]butan-1-ol?
The IUPAC name of (2S)-3-methyl-2-[[2-(propylamino)quinazolin-4-yl]amino]butan-1-ol (CID 80835823) is (2S)-3-methyl-2-[[2-(propylamino)quinazolin-4-yl]amino]butan-1-ol.
What is the SMILES notation for (2S)-3-methyl-2-[[2-(propylamino)quinazolin-4-yl]amino]butan-1-ol?
The canonical SMILES for (2S)-3-methyl-2-[[2-(propylamino)quinazolin-4-yl]amino]butan-1-ol is CCCNc1nc(N[C@H](CO)C(C)C)c2ccccc2n1.
What is the InChIKey of (2S)-3-methyl-2-[[2-(propylamino)quinazolin-4-yl]amino]butan-1-ol?
The InChIKey is PWONNTZQOSDRQH-CQSZACIVSA-N. The full InChI is InChI=1S/C16H24N4O/c1-4-9-17-16-19-13-8-6-5-7-12(13)15(20-16)18-14(10-21)11(2)3/h5-8,11,14,21H,4,9-10H2,1-3H3,(H2,17,18,19,20)/t14-/m1/s1.
What are the key properties of (2S)-3-methyl-2-[[2-(propylamino)quinazolin-4-yl]amino]butan-1-ol?
(2S)-3-methyl-2-[[2-(propylamino)quinazolin-4-yl]amino]butan-1-ol has a molecular weight of 288.39 g/mol, XLogP of 2.88, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-2-[[2-(propylamino)quinazolin-4-yl]amino]butan-1-ol is sourced from PubChem (CID 80835823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).