4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-2,4-diamine

C17H17F2N7 — CID 24949552

IUPAC4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-2,4-diamine
SMILESC[C@H](Nc1ncc(F)c(Nc2cc(C3CC3)[nH]n2)n1)c1ccc(F)cn1
InChIInChI=1S/C17H17F2N7/c1-9(13-5-4-11(18)7-20-13)22-17-21-8-12(19)16(24-17)23-15-6-14(25-26-15)10-2-3-10/h4-10H,2-3H2,1H3,(H3,21,22,23,24,25,26)/t9-/m0/s1
InChIKeyZVDOVCKXUJFELK-VIFPVBQESA-N
MW357.37 g/mol
LogP3.67
Rot. Bonds6

About 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-2,4-diamine

4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-2,4-diamine (PubChem CID 24949552) has the molecular formula C17H17F2N7 and a molecular weight of 357.37 g/mol. Its IUPAC name is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-2,4-diamine
PubChem CID24949552
Molecular FormulaC17H17F2N7
Molecular Weight357.37 g/mol
Exact Mass357.15
IUPAC Name4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-2,4-diamine
SMILESC[C@H](Nc1ncc(F)c(Nc2cc(C3CC3)[nH]n2)n1)c1ccc(F)cn1
InChIInChI=1S/C17H17F2N7/c1-9(13-5-4-11(18)7-20-13)22-17-21-8-12(19)16(24-17)23-15-6-14(25-26-15)10-2-3-10/h4-10H,2-3H2,1H3,(H3,21,22,23,24,25,26)/t9-/m0/s1
InChIKeyZVDOVCKXUJFELK-VIFPVBQESA-N
XLogP3.67
TPSA91.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-2,4-diamine (CID 24949552) is 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-2,4-diamine is C[C@H](Nc1ncc(F)c(Nc2cc(C3CC3)[nH]n2)n1)c1ccc(F)cn1.
What is the InChIKey of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-2,4-diamine?
The InChIKey is ZVDOVCKXUJFELK-VIFPVBQESA-N. The full InChI is InChI=1S/C17H17F2N7/c1-9(13-5-4-11(18)7-20-13)22-17-21-8-12(19)16(24-17)23-15-6-14(25-26-15)10-2-3-10/h4-10H,2-3H2,1H3,(H3,21,22,23,24,25,26)/t9-/m0/s1.
What are the key properties of 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-2,4-diamine?
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-2,4-diamine has a molecular weight of 357.37 g/mol, XLogP of 3.67, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 24949552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).