(2R)-2-phenyl-1-[6-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)quinazolin-2-yl]propan-1-amine

C22H19N7 — CID 137366819

IUPAC(2R)-2-phenyl-1-[6-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)quinazolin-2-yl]propan-1-amine
SMILESC[C@H](c1ccccc1)C(N)c1ncc2cc(-c3ncnc4[nH]ncc34)ccc2n1
InChIInChI=1S/C22H19N7/c1-13(14-5-3-2-4-6-14)19(23)22-24-10-16-9-15(7-8-18(16)28-22)20-17-11-27-29-21(17)26-12-25-20/h2-13,19H,23H2,1H3,(H,25,26,27,29)/t13-,19?/m1/s1
InChIKeyFSLUXZJMJKACKB-BSOCMFCZSA-N
MW381.44 g/mol
LogP3.77
Rot. Bonds4

About (2R)-2-phenyl-1-[6-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)quinazolin-2-yl]propan-1-amine

(2R)-2-phenyl-1-[6-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)quinazolin-2-yl]propan-1-amine (PubChem CID 137366819) has the molecular formula C22H19N7 and a molecular weight of 381.44 g/mol. Its IUPAC name is (2R)-2-phenyl-1-[6-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)quinazolin-2-yl]propan-1-amine.

Molecular Properties

Compound Name(2R)-2-phenyl-1-[6-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)quinazolin-2-yl]propan-1-amine
PubChem CID137366819
Molecular FormulaC22H19N7
Molecular Weight381.44 g/mol
Exact Mass381.17
IUPAC Name(2R)-2-phenyl-1-[6-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)quinazolin-2-yl]propan-1-amine
SMILESC[C@H](c1ccccc1)C(N)c1ncc2cc(-c3ncnc4[nH]ncc34)ccc2n1
InChIInChI=1S/C22H19N7/c1-13(14-5-3-2-4-6-14)19(23)22-24-10-16-9-15(7-8-18(16)28-22)20-17-11-27-29-21(17)26-12-25-20/h2-13,19H,23H2,1H3,(H,25,26,27,29)/t13-,19?/m1/s1
InChIKeyFSLUXZJMJKACKB-BSOCMFCZSA-N
XLogP3.77
TPSA106.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-phenylethyl)-6-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)quinazolin-2-amine
CID 135281122
(3R)-3-(3-fluorophenyl)-3-[[6-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)quinazolin-2-yl]amino]propan-1-ol
CID 135281156
N-[(4-fluorophenyl)methyl]-N-methyl-6-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)quinazolin-2-amine
CID 137366863
N-benzyl-N-methyl-7-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,2,4-benzotriazin-3-amine
CID 122644038
4-oxo-N-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)-3H-quinazoline-2-carbothioamide
CID 135581190
4-[3-(1-methoxyethyl)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 50948381
methyl 2-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)phenyl]-2-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonylamino)acetate
CID 118139146
4-naphthalen-2-ylquinazoline
CID 58881337
(2R)-2-phenyl-2-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]acetamide
CID 30804983
9-phenyl-5-(6-phenylquinazolin-2-yl)benzo[b]carbazole
CID 170652213
N-[1-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)-2-(trifluoromethyl)phenyl]ethyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxamide
CID 118139051
methyl 4-oxo-2-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)phenyl]-4-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanoate
CID 160817263

Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenyl-1-[6-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)quinazolin-2-yl]propan-1-amine?
The IUPAC name of (2R)-2-phenyl-1-[6-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)quinazolin-2-yl]propan-1-amine (CID 137366819) is (2R)-2-phenyl-1-[6-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)quinazolin-2-yl]propan-1-amine.
What is the SMILES notation for (2R)-2-phenyl-1-[6-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)quinazolin-2-yl]propan-1-amine?
The canonical SMILES for (2R)-2-phenyl-1-[6-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)quinazolin-2-yl]propan-1-amine is C[C@H](c1ccccc1)C(N)c1ncc2cc(-c3ncnc4[nH]ncc34)ccc2n1.
What is the InChIKey of (2R)-2-phenyl-1-[6-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)quinazolin-2-yl]propan-1-amine?
The InChIKey is FSLUXZJMJKACKB-BSOCMFCZSA-N. The full InChI is InChI=1S/C22H19N7/c1-13(14-5-3-2-4-6-14)19(23)22-24-10-16-9-15(7-8-18(16)28-22)20-17-11-27-29-21(17)26-12-25-20/h2-13,19H,23H2,1H3,(H,25,26,27,29)/t13-,19?/m1/s1.
What are the key properties of (2R)-2-phenyl-1-[6-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)quinazolin-2-yl]propan-1-amine?
(2R)-2-phenyl-1-[6-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)quinazolin-2-yl]propan-1-amine has a molecular weight of 381.44 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenyl-1-[6-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)quinazolin-2-yl]propan-1-amine is sourced from PubChem (CID 137366819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).