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

C19H20FN7OS — CID 25174222

IUPAC2-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-4-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine
SMILESCC(C)Oc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cn3)nc3ccsc23)[nH]n1
InChIInChI=1S/C19H20FN7OS/c1-10(2)28-16-8-15(26-27-16)24-18-17-14(6-7-29-17)23-19(25-18)22-11(3)13-5-4-12(20)9-21-13/h4-11H,1-3H3,(H3,22,23,24,25,26,27)/t11-/m0/s1
InChIKeyIEYISPKCYWQMEO-NSHDSACASA-N
MW413.48 g/mol
LogP4.65
Rot. Bonds7

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

2-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-4-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine (PubChem CID 25174222) has the molecular formula C19H20FN7OS and a molecular weight of 413.48 g/mol. Its IUPAC name is 2-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-4-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-4-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine
PubChem CID25174222
Molecular FormulaC19H20FN7OS
Molecular Weight413.48 g/mol
Exact Mass413.14
IUPAC Name2-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-4-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine
SMILESCC(C)Oc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cn3)nc3ccsc23)[nH]n1
InChIInChI=1S/C19H20FN7OS/c1-10(2)28-16-8-15(26-27-16)24-18-17-14(6-7-29-17)23-19(25-18)22-11(3)13-5-4-12(20)9-21-13/h4-11H,1-3H3,(H3,22,23,24,25,26,27)/t11-/m0/s1
InChIKeyIEYISPKCYWQMEO-NSHDSACASA-N
XLogP4.65
TPSA100.64 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 54.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-4-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-4-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine (CID 25174222) is 2-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-4-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-4-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-4-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine is CC(C)Oc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cn3)nc3ccsc23)[nH]n1.
What is the InChIKey of 2-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-4-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine?
The InChIKey is IEYISPKCYWQMEO-NSHDSACASA-N. The full InChI is InChI=1S/C19H20FN7OS/c1-10(2)28-16-8-15(26-27-16)24-18-17-14(6-7-29-17)23-19(25-18)22-11(3)13-5-4-12(20)9-21-13/h4-11H,1-3H3,(H3,22,23,24,25,26,27)/t11-/m0/s1.
What are the key properties of 2-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-4-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine?
2-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-4-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 413.48 g/mol, XLogP of 4.65, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-4-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 25174222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).