4-N-[(1-ethylpyrrolidin-3-yl)methyl]-5-fluoro-2-N-propylpyrimidine-2,4-diamine

C14H24FN5 — CID 80789354

IUPAC4-N-[(1-ethylpyrrolidin-3-yl)methyl]-5-fluoro-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(F)c(NCC2CCN(CC)C2)n1
InChIInChI=1S/C14H24FN5/c1-3-6-16-14-18-9-12(15)13(19-14)17-8-11-5-7-20(4-2)10-11/h9,11H,3-8,10H2,1-2H3,(H2,16,17,18,19)
InChIKeyIANBRMBHTATRTA-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.19
Rot. Bonds7

About 4-N-[(1-ethylpyrrolidin-3-yl)methyl]-5-fluoro-2-N-propylpyrimidine-2,4-diamine

4-N-[(1-ethylpyrrolidin-3-yl)methyl]-5-fluoro-2-N-propylpyrimidine-2,4-diamine (PubChem CID 80789354) has the molecular formula C14H24FN5 and a molecular weight of 281.38 g/mol. Its IUPAC name is 4-N-[(1-ethylpyrrolidin-3-yl)methyl]-5-fluoro-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(1-ethylpyrrolidin-3-yl)methyl]-5-fluoro-2-N-propylpyrimidine-2,4-diamine
PubChem CID80789354
Molecular FormulaC14H24FN5
Molecular Weight281.38 g/mol
Exact Mass281.20
IUPAC Name4-N-[(1-ethylpyrrolidin-3-yl)methyl]-5-fluoro-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(F)c(NCC2CCN(CC)C2)n1
InChIInChI=1S/C14H24FN5/c1-3-6-16-14-18-9-12(15)13(19-14)17-8-11-5-7-20(4-2)10-11/h9,11H,3-8,10H2,1-2H3,(H2,16,17,18,19)
InChIKeyIANBRMBHTATRTA-UHFFFAOYSA-N
XLogP2.19
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-[(1-ethylpyrrolidin-3-yl)methyl]-5-fluoro-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(1-ethylpyrrolidin-3-yl)methyl]-5-fluoro-2-N-propylpyrimidine-2,4-diamine (CID 80789354) is 4-N-[(1-ethylpyrrolidin-3-yl)methyl]-5-fluoro-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(1-ethylpyrrolidin-3-yl)methyl]-5-fluoro-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(1-ethylpyrrolidin-3-yl)methyl]-5-fluoro-2-N-propylpyrimidine-2,4-diamine is CCCNc1ncc(F)c(NCC2CCN(CC)C2)n1.
What is the InChIKey of 4-N-[(1-ethylpyrrolidin-3-yl)methyl]-5-fluoro-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is IANBRMBHTATRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24FN5/c1-3-6-16-14-18-9-12(15)13(19-14)17-8-11-5-7-20(4-2)10-11/h9,11H,3-8,10H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 4-N-[(1-ethylpyrrolidin-3-yl)methyl]-5-fluoro-2-N-propylpyrimidine-2,4-diamine?
4-N-[(1-ethylpyrrolidin-3-yl)methyl]-5-fluoro-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 281.38 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(1-ethylpyrrolidin-3-yl)methyl]-5-fluoro-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80789354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).