(R)-3-(6-(1-(4-fluorophenyl)-2-methylpropylamino)pyrimidin-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine

C20H20FN7 — CID 44159001

IUPAC3-[6-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]amino]pyrimidin-4-yl]pyrazolo[1,5-a]pyrimidin-2-amine
SMILESCC(C)[C@H](C1=CC=C(C=C1)F)NC2=NC=NC(=C2)C3=C4N=CC=CN4N=C3N
InChIInChI=1S/C20H20FN7/c1-12(2)18(13-4-6-14(21)7-5-13)26-16-10-15(24-11-25-16)17-19(22)27-28-9-3-8-23-20(17)28/h3-12,18H,1-2H3,(H2,22,27)(H,24,25,26)/t18-/m1/s1
InChIKeyHHUWJVYTBKEMON-GOSISDBHSA-N
MW377.40 g/mol
LogP3.20
Rot. Bonds5

About (R)-3-(6-(1-(4-fluorophenyl)-2-methylpropylamino)pyrimidin-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine

(R)-3-(6-(1-(4-fluorophenyl)-2-methylpropylamino)pyrimidin-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine (PubChem CID 44159001) has the molecular formula C20H20FN7 and a molecular weight of 377.40 g/mol. Its IUPAC name is 3-[6-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]amino]pyrimidin-4-yl]pyrazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name(R)-3-(6-(1-(4-fluorophenyl)-2-methylpropylamino)pyrimidin-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine
PubChem CID44159001
Molecular FormulaC20H20FN7
Molecular Weight377.40 g/mol
Exact Mass377.18
IUPAC Name3-[6-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]amino]pyrimidin-4-yl]pyrazolo[1,5-a]pyrimidin-2-amine
SMILESCC(C)[C@H](C1=CC=C(C=C1)F)NC2=NC=NC(=C2)C3=C4N=CC=CN4N=C3N
InChIInChI=1S/C20H20FN7/c1-12(2)18(13-4-6-14(21)7-5-13)26-16-10-15(24-11-25-16)17-19(22)27-28-9-3-8-23-20(17)28/h3-12,18H,1-2H3,(H2,22,27)(H,24,25,26)/t18-/m1/s1
InChIKeyHHUWJVYTBKEMON-GOSISDBHSA-N
XLogP3.20
TPSA94.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity499

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (R)-3-(6-(1-(4-fluorophenyl)-2-methylpropylamino)pyrimidin-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of (R)-3-(6-(1-(4-fluorophenyl)-2-methylpropylamino)pyrimidin-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine (CID 44159001) is 3-[6-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]amino]pyrimidin-4-yl]pyrazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for (R)-3-(6-(1-(4-fluorophenyl)-2-methylpropylamino)pyrimidin-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for (R)-3-(6-(1-(4-fluorophenyl)-2-methylpropylamino)pyrimidin-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine is CC(C)[C@H](C1=CC=C(C=C1)F)NC2=NC=NC(=C2)C3=C4N=CC=CN4N=C3N.
What is the InChIKey of (R)-3-(6-(1-(4-fluorophenyl)-2-methylpropylamino)pyrimidin-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is HHUWJVYTBKEMON-GOSISDBHSA-N. The full InChI is InChI=1S/C20H20FN7/c1-12(2)18(13-4-6-14(21)7-5-13)26-16-10-15(24-11-25-16)17-19(22)27-28-9-3-8-23-20(17)28/h3-12,18H,1-2H3,(H2,22,27)(H,24,25,26)/t18-/m1/s1.
What are the key properties of (R)-3-(6-(1-(4-fluorophenyl)-2-methylpropylamino)pyrimidin-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine?
(R)-3-(6-(1-(4-fluorophenyl)-2-methylpropylamino)pyrimidin-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 377.40 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-3-(6-(1-(4-fluorophenyl)-2-methylpropylamino)pyrimidin-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 44159001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).