4-N-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-diamine

C13H13FN4 — CID 141199399

IUPAC4-N-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-diamine
SMILESNc1cc(N[C@H]2CCc3c(F)cccc32)ncn1
InChIInChI=1S/C13H13FN4/c14-10-3-1-2-9-8(10)4-5-11(9)18-13-6-12(15)16-7-17-13/h1-3,6-7,11H,4-5H2,(H3,15,16,17,18)/t11-/m0/s1
InChIKeyISJSLXFRLOSNAQ-NSHDSACASA-N
MW244.27 g/mol
LogP2.30
Rot. Bonds2

About 4-N-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-diamine

4-N-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-diamine (PubChem CID 141199399) has the molecular formula C13H13FN4 and a molecular weight of 244.27 g/mol. Its IUPAC name is 4-N-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-diamine
PubChem CID141199399
Molecular FormulaC13H13FN4
Molecular Weight244.27 g/mol
Exact Mass244.11
IUPAC Name4-N-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-diamine
SMILESNc1cc(N[C@H]2CCc3c(F)cccc32)ncn1
InChIInChI=1S/C13H13FN4/c14-10-3-1-2-9-8(10)4-5-11(9)18-13-6-12(15)16-7-17-13/h1-3,6-7,11H,4-5H2,(H3,15,16,17,18)/t11-/m0/s1
InChIKeyISJSLXFRLOSNAQ-NSHDSACASA-N
XLogP2.30
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-diamine (CID 141199399) is 4-N-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-diamine is Nc1cc(N[C@H]2CCc3c(F)cccc32)ncn1.
What is the InChIKey of 4-N-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-diamine?
The InChIKey is ISJSLXFRLOSNAQ-NSHDSACASA-N. The full InChI is InChI=1S/C13H13FN4/c14-10-3-1-2-9-8(10)4-5-11(9)18-13-6-12(15)16-7-17-13/h1-3,6-7,11H,4-5H2,(H3,15,16,17,18)/t11-/m0/s1.
What are the key properties of 4-N-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-diamine?
4-N-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-diamine has a molecular weight of 244.27 g/mol, XLogP of 2.30, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]pyrimidine-4,6-diamine is sourced from PubChem (CID 141199399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).