N,6-diethyl-5-fluoro-N-(pyridin-2-ylmethyl)pyrimidin-4-amine

C14H17FN4 — CID 133419197

IUPACN,6-diethyl-5-fluoro-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
SMILESCCc1ncnc(N(CC)Cc2ccccn2)c1F
InChIInChI=1S/C14H17FN4/c1-3-12-13(15)14(18-10-17-12)19(4-2)9-11-7-5-6-8-16-11/h5-8,10H,3-4,9H2,1-2H3
InChIKeyBHSFTGRFRRFSNW-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.60
Rot. Bonds5

About N,6-diethyl-5-fluoro-N-(pyridin-2-ylmethyl)pyrimidin-4-amine

N,6-diethyl-5-fluoro-N-(pyridin-2-ylmethyl)pyrimidin-4-amine (PubChem CID 133419197) has the molecular formula C14H17FN4 and a molecular weight of 260.32 g/mol. Its IUPAC name is N,6-diethyl-5-fluoro-N-(pyridin-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN,6-diethyl-5-fluoro-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
PubChem CID133419197
Molecular FormulaC14H17FN4
Molecular Weight260.32 g/mol
Exact Mass260.14
IUPAC NameN,6-diethyl-5-fluoro-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
SMILESCCc1ncnc(N(CC)Cc2ccccn2)c1F
InChIInChI=1S/C14H17FN4/c1-3-12-13(15)14(18-10-17-12)19(4-2)9-11-7-5-6-8-16-11/h5-8,10H,3-4,9H2,1-2H3
InChIKeyBHSFTGRFRRFSNW-UHFFFAOYSA-N
XLogP2.60
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzyl-(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethanol
CID 103879721
N-ethyl-3-methyl-5-(methylaminomethyl)-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 80635618
1-N-ethyl-4-fluoro-5-methyl-1-N-(pyridin-2-ylmethyl)benzene-1,2-diamine
CID 103590580
1-[2-[ethyl(pyridin-2-ylmethyl)amino]-3-pyridinyl]ethanone
CID 114055599
N-ethyl-4,6-dimethyl-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 133404102
2-chloro-N-ethyl-N-(pyridin-2-ylmethyl)pyridin-4-amine
CID 102809534
4-N-ethyl-2,5-dimethyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 80851701
5-amino-6-[ethyl(pyridin-2-ylmethyl)amino]pyridine-3-carbonitrile
CID 103468799
N-methoxy-N-(pyridin-2-ylmethyl)ethanamine
CID 59512202
N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 174963433
ethane;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 145471467
6-chloro-5-ethyl-N-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 55229872

Frequently Asked Questions

What is the IUPAC name of N,6-diethyl-5-fluoro-N-(pyridin-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of N,6-diethyl-5-fluoro-N-(pyridin-2-ylmethyl)pyrimidin-4-amine (CID 133419197) is N,6-diethyl-5-fluoro-N-(pyridin-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for N,6-diethyl-5-fluoro-N-(pyridin-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for N,6-diethyl-5-fluoro-N-(pyridin-2-ylmethyl)pyrimidin-4-amine is CCc1ncnc(N(CC)Cc2ccccn2)c1F.
What is the InChIKey of N,6-diethyl-5-fluoro-N-(pyridin-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is BHSFTGRFRRFSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4/c1-3-12-13(15)14(18-10-17-12)19(4-2)9-11-7-5-6-8-16-11/h5-8,10H,3-4,9H2,1-2H3.
What are the key properties of N,6-diethyl-5-fluoro-N-(pyridin-2-ylmethyl)pyrimidin-4-amine?
N,6-diethyl-5-fluoro-N-(pyridin-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 260.32 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-diethyl-5-fluoro-N-(pyridin-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 133419197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).