N-[(1S)-1-(3,4-difluorophenyl)propyl]-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrimidin-4-amine

C19H16F2N6 — CID 58269065

IUPACN-[(1S)-1-(3,4-difluorophenyl)propyl]-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrimidin-4-amine
SMILESCC[C@H](Nc1cc(-c2cnn3cccnc23)ncn1)c1ccc(F)c(F)c1
InChIInChI=1S/C19H16F2N6/c1-2-16(12-4-5-14(20)15(21)8-12)26-18-9-17(23-11-24-18)13-10-25-27-7-3-6-22-19(13)27/h3-11,16H,2H2,1H3,(H,23,24,26)/t16-/m0/s1
InChIKeyJPPOKIWBCGWSTA-INIZCTEOSA-N
MW366.38 g/mol
LogP4.03
Rot. Bonds5

About N-[(1S)-1-(3,4-difluorophenyl)propyl]-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrimidin-4-amine

N-[(1S)-1-(3,4-difluorophenyl)propyl]-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrimidin-4-amine (PubChem CID 58269065) has the molecular formula C19H16F2N6 and a molecular weight of 366.38 g/mol. Its IUPAC name is N-[(1S)-1-(3,4-difluorophenyl)propyl]-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1S)-1-(3,4-difluorophenyl)propyl]-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrimidin-4-amine
PubChem CID58269065
Molecular FormulaC19H16F2N6
Molecular Weight366.38 g/mol
Exact Mass366.14
IUPAC NameN-[(1S)-1-(3,4-difluorophenyl)propyl]-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrimidin-4-amine
SMILESCC[C@H](Nc1cc(-c2cnn3cccnc23)ncn1)c1ccc(F)c(F)c1
InChIInChI=1S/C19H16F2N6/c1-2-16(12-4-5-14(20)15(21)8-12)26-18-9-17(23-11-24-18)13-10-25-27-7-3-6-22-19(13)27/h3-11,16H,2H2,1H3,(H,23,24,26)/t16-/m0/s1
InChIKeyJPPOKIWBCGWSTA-INIZCTEOSA-N
XLogP4.03
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3,4-difluorophenyl)propyl]-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrimidin-4-amine?
The IUPAC name of N-[(1S)-1-(3,4-difluorophenyl)propyl]-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrimidin-4-amine (CID 58269065) is N-[(1S)-1-(3,4-difluorophenyl)propyl]-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrimidin-4-amine.
What is the SMILES notation for N-[(1S)-1-(3,4-difluorophenyl)propyl]-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrimidin-4-amine?
The canonical SMILES for N-[(1S)-1-(3,4-difluorophenyl)propyl]-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrimidin-4-amine is CC[C@H](Nc1cc(-c2cnn3cccnc23)ncn1)c1ccc(F)c(F)c1.
What is the InChIKey of N-[(1S)-1-(3,4-difluorophenyl)propyl]-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrimidin-4-amine?
The InChIKey is JPPOKIWBCGWSTA-INIZCTEOSA-N. The full InChI is InChI=1S/C19H16F2N6/c1-2-16(12-4-5-14(20)15(21)8-12)26-18-9-17(23-11-24-18)13-10-25-27-7-3-6-22-19(13)27/h3-11,16H,2H2,1H3,(H,23,24,26)/t16-/m0/s1.
What are the key properties of N-[(1S)-1-(3,4-difluorophenyl)propyl]-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrimidin-4-amine?
N-[(1S)-1-(3,4-difluorophenyl)propyl]-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrimidin-4-amine has a molecular weight of 366.38 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3,4-difluorophenyl)propyl]-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrimidin-4-amine is sourced from PubChem (CID 58269065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).