2-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-5-fluoropyrimidine-2,4-diamine

C13H13FN4 — CID 141199441

IUPAC2-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-5-fluoropyrimidine-2,4-diamine
SMILESNc1nc(N[C@H]2CCc3ccccc32)ncc1F
InChIInChI=1S/C13H13FN4/c14-10-7-16-13(18-12(10)15)17-11-6-5-8-3-1-2-4-9(8)11/h1-4,7,11H,5-6H2,(H3,15,16,17,18)/t11-/m0/s1
InChIKeyOSNWFFLLZWEHHC-NSHDSACASA-N
MW244.27 g/mol
LogP2.30
Rot. Bonds2

About 2-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-5-fluoropyrimidine-2,4-diamine

2-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-5-fluoropyrimidine-2,4-diamine (PubChem CID 141199441) has the molecular formula C13H13FN4 and a molecular weight of 244.27 g/mol. Its IUPAC name is 2-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-5-fluoropyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-5-fluoropyrimidine-2,4-diamine
PubChem CID141199441
Molecular FormulaC13H13FN4
Molecular Weight244.27 g/mol
Exact Mass244.11
IUPAC Name2-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-5-fluoropyrimidine-2,4-diamine
SMILESNc1nc(N[C@H]2CCc3ccccc32)ncc1F
InChIInChI=1S/C13H13FN4/c14-10-7-16-13(18-12(10)15)17-11-6-5-8-3-1-2-4-9(8)11/h1-4,7,11H,5-6H2,(H3,15,16,17,18)/t11-/m0/s1
InChIKeyOSNWFFLLZWEHHC-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 2-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-5-fluoropyrimidine-2,4-diamine?
The IUPAC name of 2-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-5-fluoropyrimidine-2,4-diamine (CID 141199441) is 2-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-5-fluoropyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-5-fluoropyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-5-fluoropyrimidine-2,4-diamine is Nc1nc(N[C@H]2CCc3ccccc32)ncc1F.
What is the InChIKey of 2-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-5-fluoropyrimidine-2,4-diamine?
The InChIKey is OSNWFFLLZWEHHC-NSHDSACASA-N. The full InChI is InChI=1S/C13H13FN4/c14-10-7-16-13(18-12(10)15)17-11-6-5-8-3-1-2-4-9(8)11/h1-4,7,11H,5-6H2,(H3,15,16,17,18)/t11-/m0/s1.
What are the key properties of 2-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-5-fluoropyrimidine-2,4-diamine?
2-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-5-fluoropyrimidine-2,4-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 2-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-5-fluoropyrimidine-2,4-diamine is sourced from PubChem (CID 141199441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).