N-(1-phenylethyl)-6-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)quinazolin-2-amine

C21H17N7 — CID 135281122

IUPACN-(1-phenylethyl)-6-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)quinazolin-2-amine
SMILESCC(Nc1ncc2cc(-c3ncnc4[nH]ncc34)ccc2n1)c1ccccc1
InChIInChI=1S/C21H17N7/c1-13(14-5-3-2-4-6-14)26-21-22-10-16-9-15(7-8-18(16)27-21)19-17-11-25-28-20(17)24-12-23-19/h2-13H,1H3,(H,22,26,27)(H,23,24,25,28)
InChIKeyKYPNKQIQCVXLPB-UHFFFAOYSA-N
MW367.42 g/mol
LogP4.14
Rot. Bonds4

About N-(1-phenylethyl)-6-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)quinazolin-2-amine

N-(1-phenylethyl)-6-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)quinazolin-2-amine (PubChem CID 135281122) has the molecular formula C21H17N7 and a molecular weight of 367.42 g/mol. Its IUPAC name is N-(1-phenylethyl)-6-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)quinazolin-2-amine.

Molecular Properties

Compound NameN-(1-phenylethyl)-6-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)quinazolin-2-amine
PubChem CID135281122
Molecular FormulaC21H17N7
Molecular Weight367.42 g/mol
Exact Mass367.15
IUPAC NameN-(1-phenylethyl)-6-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)quinazolin-2-amine
SMILESCC(Nc1ncc2cc(-c3ncnc4[nH]ncc34)ccc2n1)c1ccccc1
InChIInChI=1S/C21H17N7/c1-13(14-5-3-2-4-6-14)26-21-22-10-16-9-15(7-8-18(16)27-21)19-17-11-25-28-20(17)24-12-23-19/h2-13H,1H3,(H,22,26,27)(H,23,24,25,28)
InChIKeyKYPNKQIQCVXLPB-UHFFFAOYSA-N
XLogP4.14
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-phenyl-1-[6-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)quinazolin-2-yl]propan-1-amine
CID 137366819
(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
N-[1-(3,4-difluorophenyl)ethyl]-6-[1-(oxan-2-yl)pyrazolo[3,4-d]pyrimidin-4-yl]quinazolin-2-amine
CID 135281162
3-[2-(propan-2-ylamino)quinazolin-6-yl]benzoic acid
CID 67061417
4-[2-[[(1R)-1-phenylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenol
CID 90977535
N-[(1R)-1-phenylethyl]-7-(1H-pyrazol-4-yl)-1,2,4-benzotriazin-3-amine
CID 122481955
9-(1H-indazol-6-yl)-N-[(1S)-1-phenylethyl]purin-2-amine
CID 67396135
N-[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 95971551
6-(5-amino-3-pyridinyl)-N-(1-phenylethyl)quinazolin-4-amine
CID 164556375
2-[[(1S)-1-phenylethyl]amino]pyrimidine-5-carboxamide
CID 141139654

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-6-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)quinazolin-2-amine?
The IUPAC name of N-(1-phenylethyl)-6-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)quinazolin-2-amine (CID 135281122) is N-(1-phenylethyl)-6-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)quinazolin-2-amine.
What is the SMILES notation for N-(1-phenylethyl)-6-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)quinazolin-2-amine?
The canonical SMILES for N-(1-phenylethyl)-6-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)quinazolin-2-amine is CC(Nc1ncc2cc(-c3ncnc4[nH]ncc34)ccc2n1)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)-6-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)quinazolin-2-amine?
The InChIKey is KYPNKQIQCVXLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N7/c1-13(14-5-3-2-4-6-14)26-21-22-10-16-9-15(7-8-18(16)27-21)19-17-11-25-28-20(17)24-12-23-19/h2-13H,1H3,(H,22,26,27)(H,23,24,25,28).
What are the key properties of N-(1-phenylethyl)-6-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)quinazolin-2-amine?
N-(1-phenylethyl)-6-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)quinazolin-2-amine has a molecular weight of 367.42 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-6-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)quinazolin-2-amine is sourced from PubChem (CID 135281122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).