4-amino-6-[[(1R)-1-(6-fluoro-4-phenylcinnolin-3-yl)ethyl]amino]pyrimidine-5-carbonitrile

C21H16FN7 — CID 68907323

IUPAC4-amino-6-[[(1R)-1-(6-fluoro-4-phenylcinnolin-3-yl)ethyl]amino]pyrimidine-5-carbonitrile
SMILESC[C@@H](Nc1ncnc(N)c1C#N)c1nnc2ccc(F)cc2c1-c1ccccc1
InChIInChI=1S/C21H16FN7/c1-12(27-21-16(10-23)20(24)25-11-26-21)19-18(13-5-3-2-4-6-13)15-9-14(22)7-8-17(15)28-29-19/h2-9,11-12H,1H3,(H3,24,25,26,27)/t12-/m1/s1
InChIKeyDPHZJRJMHSIPBK-GFCCVEGCSA-N
MW385.41 g/mol
LogP3.85
Rot. Bonds4

About 4-amino-6-[[(1R)-1-(6-fluoro-4-phenylcinnolin-3-yl)ethyl]amino]pyrimidine-5-carbonitrile

4-amino-6-[[(1R)-1-(6-fluoro-4-phenylcinnolin-3-yl)ethyl]amino]pyrimidine-5-carbonitrile (PubChem CID 68907323) has the molecular formula C21H16FN7 and a molecular weight of 385.41 g/mol. Its IUPAC name is 4-amino-6-[[(1R)-1-(6-fluoro-4-phenylcinnolin-3-yl)ethyl]amino]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-6-[[(1R)-1-(6-fluoro-4-phenylcinnolin-3-yl)ethyl]amino]pyrimidine-5-carbonitrile
PubChem CID68907323
Molecular FormulaC21H16FN7
Molecular Weight385.41 g/mol
Exact Mass385.15
IUPAC Name4-amino-6-[[(1R)-1-(6-fluoro-4-phenylcinnolin-3-yl)ethyl]amino]pyrimidine-5-carbonitrile
SMILESC[C@@H](Nc1ncnc(N)c1C#N)c1nnc2ccc(F)cc2c1-c1ccccc1
InChIInChI=1S/C21H16FN7/c1-12(27-21-16(10-23)20(24)25-11-26-21)19-18(13-5-3-2-4-6-13)15-9-14(22)7-8-17(15)28-29-19/h2-9,11-12H,1H3,(H3,24,25,26,27)/t12-/m1/s1
InChIKeyDPHZJRJMHSIPBK-GFCCVEGCSA-N
XLogP3.85
TPSA113.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.41
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-[[(1R)-1-(6-fluoro-4-phenylcinnolin-3-yl)ethyl]amino]pyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-6-[[(1R)-1-(6-fluoro-4-phenylcinnolin-3-yl)ethyl]amino]pyrimidine-5-carbonitrile (CID 68907323) is 4-amino-6-[[(1R)-1-(6-fluoro-4-phenylcinnolin-3-yl)ethyl]amino]pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-6-[[(1R)-1-(6-fluoro-4-phenylcinnolin-3-yl)ethyl]amino]pyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-6-[[(1R)-1-(6-fluoro-4-phenylcinnolin-3-yl)ethyl]amino]pyrimidine-5-carbonitrile is C[C@@H](Nc1ncnc(N)c1C#N)c1nnc2ccc(F)cc2c1-c1ccccc1.
What is the InChIKey of 4-amino-6-[[(1R)-1-(6-fluoro-4-phenylcinnolin-3-yl)ethyl]amino]pyrimidine-5-carbonitrile?
The InChIKey is DPHZJRJMHSIPBK-GFCCVEGCSA-N. The full InChI is InChI=1S/C21H16FN7/c1-12(27-21-16(10-23)20(24)25-11-26-21)19-18(13-5-3-2-4-6-13)15-9-14(22)7-8-17(15)28-29-19/h2-9,11-12H,1H3,(H3,24,25,26,27)/t12-/m1/s1.
What are the key properties of 4-amino-6-[[(1R)-1-(6-fluoro-4-phenylcinnolin-3-yl)ethyl]amino]pyrimidine-5-carbonitrile?
4-amino-6-[[(1R)-1-(6-fluoro-4-phenylcinnolin-3-yl)ethyl]amino]pyrimidine-5-carbonitrile has a molecular weight of 385.41 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-[[(1R)-1-(6-fluoro-4-phenylcinnolin-3-yl)ethyl]amino]pyrimidine-5-carbonitrile is sourced from PubChem (CID 68907323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).