N-[(5-fluoro-6-morpholin-4-yl-3-pyridinyl)methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine

C15H22FN5O — CID 122095338

IUPACN-[(5-fluoro-6-morpholin-4-yl-3-pyridinyl)methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine
SMILESCN1CCCN=C1NCc1cnc(N2CCOCC2)c(F)c1
InChIInChI=1S/C15H22FN5O/c1-20-4-2-3-17-15(20)19-11-12-9-13(16)14(18-10-12)21-5-7-22-8-6-21/h9-10H,2-8,11H2,1H3,(H,17,19)
InChIKeyJOGQMJUVXQZJEI-UHFFFAOYSA-N
MW307.37 g/mol
LogP0.84
Rot. Bonds3

About N-[(5-fluoro-6-morpholin-4-yl-3-pyridinyl)methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine

N-[(5-fluoro-6-morpholin-4-yl-3-pyridinyl)methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine (PubChem CID 122095338) has the molecular formula C15H22FN5O and a molecular weight of 307.37 g/mol. Its IUPAC name is N-[(5-fluoro-6-morpholin-4-yl-3-pyridinyl)methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(5-fluoro-6-morpholin-4-yl-3-pyridinyl)methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine
PubChem CID122095338
Molecular FormulaC15H22FN5O
Molecular Weight307.37 g/mol
Exact Mass307.18
IUPAC NameN-[(5-fluoro-6-morpholin-4-yl-3-pyridinyl)methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine
SMILESCN1CCCN=C1NCc1cnc(N2CCOCC2)c(F)c1
InChIInChI=1S/C15H22FN5O/c1-20-4-2-3-17-15(20)19-11-12-9-13(16)14(18-10-12)21-5-7-22-8-6-21/h9-10H,2-8,11H2,1H3,(H,17,19)
InChIKeyJOGQMJUVXQZJEI-UHFFFAOYSA-N
XLogP0.84
TPSA52.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-6-morpholin-4-yl-3-pyridinyl)methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine?
The IUPAC name of N-[(5-fluoro-6-morpholin-4-yl-3-pyridinyl)methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine (CID 122095338) is N-[(5-fluoro-6-morpholin-4-yl-3-pyridinyl)methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine.
What is the SMILES notation for N-[(5-fluoro-6-morpholin-4-yl-3-pyridinyl)methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine?
The canonical SMILES for N-[(5-fluoro-6-morpholin-4-yl-3-pyridinyl)methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine is CN1CCCN=C1NCc1cnc(N2CCOCC2)c(F)c1.
What is the InChIKey of N-[(5-fluoro-6-morpholin-4-yl-3-pyridinyl)methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine?
The InChIKey is JOGQMJUVXQZJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN5O/c1-20-4-2-3-17-15(20)19-11-12-9-13(16)14(18-10-12)21-5-7-22-8-6-21/h9-10H,2-8,11H2,1H3,(H,17,19).
What are the key properties of N-[(5-fluoro-6-morpholin-4-yl-3-pyridinyl)methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine?
N-[(5-fluoro-6-morpholin-4-yl-3-pyridinyl)methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine has a molecular weight of 307.37 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-6-morpholin-4-yl-3-pyridinyl)methyl]-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine is sourced from PubChem (CID 122095338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).