5-fluoro-4-N-[(6-methoxy-3-pyridinyl)methyl]-2-N-propylpyrimidine-2,4-diamine

C14H18FN5O — CID 80809709

IUPAC5-fluoro-4-N-[(6-methoxy-3-pyridinyl)methyl]-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(F)c(NCc2ccc(OC)nc2)n1
InChIInChI=1S/C14H18FN5O/c1-3-6-16-14-19-9-11(15)13(20-14)18-8-10-4-5-12(21-2)17-7-10/h4-5,7,9H,3,6,8H2,1-2H3,(H2,16,18,19,20)
InChIKeyKMXBMSOCXBKAGT-UHFFFAOYSA-N
MW291.33 g/mol
LogP2.45
Rot. Bonds7

About 5-fluoro-4-N-[(6-methoxy-3-pyridinyl)methyl]-2-N-propylpyrimidine-2,4-diamine

5-fluoro-4-N-[(6-methoxy-3-pyridinyl)methyl]-2-N-propylpyrimidine-2,4-diamine (PubChem CID 80809709) has the molecular formula C14H18FN5O and a molecular weight of 291.33 g/mol. Its IUPAC name is 5-fluoro-4-N-[(6-methoxy-3-pyridinyl)methyl]-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-4-N-[(6-methoxy-3-pyridinyl)methyl]-2-N-propylpyrimidine-2,4-diamine
PubChem CID80809709
Molecular FormulaC14H18FN5O
Molecular Weight291.33 g/mol
Exact Mass291.15
IUPAC Name5-fluoro-4-N-[(6-methoxy-3-pyridinyl)methyl]-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ncc(F)c(NCc2ccc(OC)nc2)n1
InChIInChI=1S/C14H18FN5O/c1-3-6-16-14-19-9-11(15)13(20-14)18-8-10-4-5-12(21-2)17-7-10/h4-5,7,9H,3,6,8H2,1-2H3,(H2,16,18,19,20)
InChIKeyKMXBMSOCXBKAGT-UHFFFAOYSA-N
XLogP2.45
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-N-[(6-methoxy-3-pyridinyl)methyl]-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-4-N-[(6-methoxy-3-pyridinyl)methyl]-2-N-propylpyrimidine-2,4-diamine (CID 80809709) is 5-fluoro-4-N-[(6-methoxy-3-pyridinyl)methyl]-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-4-N-[(6-methoxy-3-pyridinyl)methyl]-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-4-N-[(6-methoxy-3-pyridinyl)methyl]-2-N-propylpyrimidine-2,4-diamine is CCCNc1ncc(F)c(NCc2ccc(OC)nc2)n1.
What is the InChIKey of 5-fluoro-4-N-[(6-methoxy-3-pyridinyl)methyl]-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is KMXBMSOCXBKAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN5O/c1-3-6-16-14-19-9-11(15)13(20-14)18-8-10-4-5-12(21-2)17-7-10/h4-5,7,9H,3,6,8H2,1-2H3,(H2,16,18,19,20).
What are the key properties of 5-fluoro-4-N-[(6-methoxy-3-pyridinyl)methyl]-2-N-propylpyrimidine-2,4-diamine?
5-fluoro-4-N-[(6-methoxy-3-pyridinyl)methyl]-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 291.33 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-N-[(6-methoxy-3-pyridinyl)methyl]-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 80809709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).