9-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]purin-2-amine

C17H16FN9 — CID 25115965

IUPAC9-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]purin-2-amine
SMILESC[C@H](Nc1ncc2ncn(-c3cc(C4CC4)[nH]n3)c2n1)c1ncc(F)cn1
InChIInChI=1S/C17H16FN9/c1-9(15-19-5-11(18)6-20-15)23-17-21-7-13-16(24-17)27(8-22-13)14-4-12(25-26-14)10-2-3-10/h4-10H,2-3H2,1H3,(H,25,26)(H,21,23,24)/t9-/m0/s1
InChIKeyGBNYFNIWEOUHPN-VIFPVBQESA-N
MW365.38 g/mol
LogP2.52
Rot. Bonds5

About 9-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]purin-2-amine

9-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]purin-2-amine (PubChem CID 25115965) has the molecular formula C17H16FN9 and a molecular weight of 365.38 g/mol. Its IUPAC name is 9-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]purin-2-amine.

Molecular Properties

Compound Name9-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]purin-2-amine
PubChem CID25115965
Molecular FormulaC17H16FN9
Molecular Weight365.38 g/mol
Exact Mass365.15
IUPAC Name9-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]purin-2-amine
SMILESC[C@H](Nc1ncc2ncn(-c3cc(C4CC4)[nH]n3)c2n1)c1ncc(F)cn1
InChIInChI=1S/C17H16FN9/c1-9(15-19-5-11(18)6-20-15)23-17-21-7-13-16(24-17)27(8-22-13)14-4-12(25-26-14)10-2-3-10/h4-10H,2-3H2,1H3,(H,25,26)(H,21,23,24)/t9-/m0/s1
InChIKeyGBNYFNIWEOUHPN-VIFPVBQESA-N
XLogP2.52
TPSA110.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.38
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 9-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]purin-2-amine?
The IUPAC name of 9-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]purin-2-amine (CID 25115965) is 9-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]purin-2-amine.
What is the SMILES notation for 9-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]purin-2-amine?
The canonical SMILES for 9-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]purin-2-amine is C[C@H](Nc1ncc2ncn(-c3cc(C4CC4)[nH]n3)c2n1)c1ncc(F)cn1.
What is the InChIKey of 9-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]purin-2-amine?
The InChIKey is GBNYFNIWEOUHPN-VIFPVBQESA-N. The full InChI is InChI=1S/C17H16FN9/c1-9(15-19-5-11(18)6-20-15)23-17-21-7-13-16(24-17)27(8-22-13)14-4-12(25-26-14)10-2-3-10/h4-10H,2-3H2,1H3,(H,25,26)(H,21,23,24)/t9-/m0/s1.
What are the key properties of 9-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]purin-2-amine?
9-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]purin-2-amine has a molecular weight of 365.38 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]purin-2-amine is sourced from PubChem (CID 25115965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).