N-[1-(3-fluoro-2-pyridinyl)ethyl]-2-methylpyrimidin-4-amine

C12H13FN4 — CID 122154387

IUPACN-[1-(3-fluoro-2-pyridinyl)ethyl]-2-methylpyrimidin-4-amine
SMILESCc1nccc(NC(C)c2ncccc2F)n1
InChIInChI=1S/C12H13FN4/c1-8(12-10(13)4-3-6-15-12)16-11-5-7-14-9(2)17-11/h3-8H,1-2H3,(H,14,16,17)
InChIKeyRNDDAMQFKJASCX-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.49
Rot. Bonds3

About N-[1-(3-fluoro-2-pyridinyl)ethyl]-2-methylpyrimidin-4-amine

N-[1-(3-fluoro-2-pyridinyl)ethyl]-2-methylpyrimidin-4-amine (PubChem CID 122154387) has the molecular formula C12H13FN4 and a molecular weight of 232.26 g/mol. Its IUPAC name is N-[1-(3-fluoro-2-pyridinyl)ethyl]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(3-fluoro-2-pyridinyl)ethyl]-2-methylpyrimidin-4-amine
PubChem CID122154387
Molecular FormulaC12H13FN4
Molecular Weight232.26 g/mol
Exact Mass232.11
IUPAC NameN-[1-(3-fluoro-2-pyridinyl)ethyl]-2-methylpyrimidin-4-amine
SMILESCc1nccc(NC(C)c2ncccc2F)n1
InChIInChI=1S/C12H13FN4/c1-8(12-10(13)4-3-6-15-12)16-11-5-7-14-9(2)17-11/h3-8H,1-2H3,(H,14,16,17)
InChIKeyRNDDAMQFKJASCX-UHFFFAOYSA-N
XLogP2.49
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-bromophenyl)ethyl]-2-methylpyrimidin-4-amine
CID 55112715
2-methyl-N-(4,4,4-trifluorobutan-2-yl)pyrimidin-4-amine
CID 104854561
2-methyl-N-(4-methylpentan-2-yl)pyrimidin-4-amine
CID 62785872
4-N-[1-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 80801582
2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]pyrimidin-4-amine
CID 134704423
(1S)-1-(3-fluoro-2-pyridinyl)ethanamine;hydrochloride
CID 53487490
N-[1-(1-adamantyl)ethyl]-2-methylpyrimidin-4-amine
CID 63535938
4-methyl-2-N-(2-methylpyrimidin-4-yl)pentane-1,2-diamine
CID 63759606
2-methyl-N-phosphanylpyrimidin-4-amine
CID 59105384
3-fluoro-N-propan-2-ylpyridin-2-amine
CID 62733783
(2S)-2-[(2-methylpyrimidin-4-yl)amino]butan-1-ol
CID 94586923
2-(3-fluoro-2-pyridinyl)propanoic acid
CID 91647505

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluoro-2-pyridinyl)ethyl]-2-methylpyrimidin-4-amine?
The IUPAC name of N-[1-(3-fluoro-2-pyridinyl)ethyl]-2-methylpyrimidin-4-amine (CID 122154387) is N-[1-(3-fluoro-2-pyridinyl)ethyl]-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-[1-(3-fluoro-2-pyridinyl)ethyl]-2-methylpyrimidin-4-amine?
The canonical SMILES for N-[1-(3-fluoro-2-pyridinyl)ethyl]-2-methylpyrimidin-4-amine is Cc1nccc(NC(C)c2ncccc2F)n1.
What is the InChIKey of N-[1-(3-fluoro-2-pyridinyl)ethyl]-2-methylpyrimidin-4-amine?
The InChIKey is RNDDAMQFKJASCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4/c1-8(12-10(13)4-3-6-15-12)16-11-5-7-14-9(2)17-11/h3-8H,1-2H3,(H,14,16,17).
What are the key properties of N-[1-(3-fluoro-2-pyridinyl)ethyl]-2-methylpyrimidin-4-amine?
N-[1-(3-fluoro-2-pyridinyl)ethyl]-2-methylpyrimidin-4-amine has a molecular weight of 232.26 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluoro-2-pyridinyl)ethyl]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 122154387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).