(2R)-1-[(2R)-4-[(4-aminoquinazolin-2-yl)methyl]-2-ethylpiperazin-1-yl]propan-2-ol

C18H27N5O — CID 95612257

IUPAC(2R)-1-[(2R)-4-[(4-aminoquinazolin-2-yl)methyl]-2-ethylpiperazin-1-yl]propan-2-ol
SMILESCC[C@@H]1CN(Cc2nc(N)c3ccccc3n2)CCN1C[C@@H](C)O
InChIInChI=1S/C18H27N5O/c1-3-14-11-22(8-9-23(14)10-13(2)24)12-17-20-16-7-5-4-6-15(16)18(19)21-17/h4-7,13-14,24H,3,8-12H2,1-2H3,(H2,19,20,21)/t13-,14-/m1/s1
InChIKeyZOFNATCENBYGEA-ZIAGYGMSSA-N
MW329.45 g/mol
LogP1.49
Rot. Bonds5

About (2R)-1-[(2R)-4-[(4-aminoquinazolin-2-yl)methyl]-2-ethylpiperazin-1-yl]propan-2-ol

(2R)-1-[(2R)-4-[(4-aminoquinazolin-2-yl)methyl]-2-ethylpiperazin-1-yl]propan-2-ol (PubChem CID 95612257) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is (2R)-1-[(2R)-4-[(4-aminoquinazolin-2-yl)methyl]-2-ethylpiperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(2R)-4-[(4-aminoquinazolin-2-yl)methyl]-2-ethylpiperazin-1-yl]propan-2-ol
PubChem CID95612257
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC Name(2R)-1-[(2R)-4-[(4-aminoquinazolin-2-yl)methyl]-2-ethylpiperazin-1-yl]propan-2-ol
SMILESCC[C@@H]1CN(Cc2nc(N)c3ccccc3n2)CCN1C[C@@H](C)O
InChIInChI=1S/C18H27N5O/c1-3-14-11-22(8-9-23(14)10-13(2)24)12-17-20-16-7-5-4-6-15(16)18(19)21-17/h4-7,13-14,24H,3,8-12H2,1-2H3,(H2,19,20,21)/t13-,14-/m1/s1
InChIKeyZOFNATCENBYGEA-ZIAGYGMSSA-N
XLogP1.49
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R)-1-[(2R)-4-[(4-aminoquinazolin-2-yl)methyl]-2-ethylpiperazin-1-yl]propan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

1-[4-[(4-aminoquinazolin-2-yl)methyl]-2-ethylpiperazin-1-yl]propan-2-ol
CID 56802986
1-[2-ethyl-4-[(4-methylquinazolin-2-yl)methyl]piperazin-1-yl]propan-2-ol
CID 71932952
2-[[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]quinazolin-4-amine
CID 95333156
(2R)-1-[(2R)-4-(1,3-benzoxazol-2-ylmethyl)-2-ethylpiperazin-1-yl]propan-2-ol
CID 95766493
(2S)-1-[(2S)-2-ethyl-4-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]propan-2-ol
CID 98767261
2-[[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]methyl]quinazolin-4-amine
CID 124741589
3-[[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]methyl]benzoic acid
CID 122029016
1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 37129641
1-[4-[(2-amino-1,3-thiazol-5-yl)methyl]-2-ethylpiperazin-1-yl]propan-2-ol;hydrochloride
CID 120900140
1-[(4-aminoquinazolin-2-yl)methyl]-4-methylpiperidin-4-ol
CID 80702487
1-[1-[(4-methylquinazolin-2-yl)methyl]pyrrolidin-3-yl]ethanol
CID 110019975
(2R)-1-[(2R)-2-ethyl-4-[(5-methylpyrazin-2-yl)methyl]piperazin-1-yl]propan-2-ol
CID 95766588

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2R)-4-[(4-aminoquinazolin-2-yl)methyl]-2-ethylpiperazin-1-yl]propan-2-ol?
The IUPAC name of (2R)-1-[(2R)-4-[(4-aminoquinazolin-2-yl)methyl]-2-ethylpiperazin-1-yl]propan-2-ol (CID 95612257) is (2R)-1-[(2R)-4-[(4-aminoquinazolin-2-yl)methyl]-2-ethylpiperazin-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-[(2R)-4-[(4-aminoquinazolin-2-yl)methyl]-2-ethylpiperazin-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1-[(2R)-4-[(4-aminoquinazolin-2-yl)methyl]-2-ethylpiperazin-1-yl]propan-2-ol is CC[C@@H]1CN(Cc2nc(N)c3ccccc3n2)CCN1C[C@@H](C)O.
What is the InChIKey of (2R)-1-[(2R)-4-[(4-aminoquinazolin-2-yl)methyl]-2-ethylpiperazin-1-yl]propan-2-ol?
The InChIKey is ZOFNATCENBYGEA-ZIAGYGMSSA-N. The full InChI is InChI=1S/C18H27N5O/c1-3-14-11-22(8-9-23(14)10-13(2)24)12-17-20-16-7-5-4-6-15(16)18(19)21-17/h4-7,13-14,24H,3,8-12H2,1-2H3,(H2,19,20,21)/t13-,14-/m1/s1.
What are the key properties of (2R)-1-[(2R)-4-[(4-aminoquinazolin-2-yl)methyl]-2-ethylpiperazin-1-yl]propan-2-ol?
(2R)-1-[(2R)-4-[(4-aminoquinazolin-2-yl)methyl]-2-ethylpiperazin-1-yl]propan-2-ol has a molecular weight of 329.45 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2R)-4-[(4-aminoquinazolin-2-yl)methyl]-2-ethylpiperazin-1-yl]propan-2-ol is sourced from PubChem (CID 95612257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).