5-fluoro-4-methoxy-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]pyrimidin-2-amine

C14H21FN4O — CID 122568933

IUPAC5-fluoro-4-methoxy-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]pyrimidin-2-amine
SMILESCOc1nc(NCC2(CN3CCCC3)CC2)ncc1F
InChIInChI=1S/C14H21FN4O/c1-20-12-11(15)8-16-13(18-12)17-9-14(4-5-14)10-19-6-2-3-7-19/h8H,2-7,9-10H2,1H3,(H,16,17,18)
InChIKeyKTJVAOGSXVLVLG-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.91
Rot. Bonds6

About 5-fluoro-4-methoxy-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]pyrimidin-2-amine

5-fluoro-4-methoxy-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]pyrimidin-2-amine (PubChem CID 122568933) has the molecular formula C14H21FN4O and a molecular weight of 280.35 g/mol. Its IUPAC name is 5-fluoro-4-methoxy-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-methoxy-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]pyrimidin-2-amine
PubChem CID122568933
Molecular FormulaC14H21FN4O
Molecular Weight280.35 g/mol
Exact Mass280.17
IUPAC Name5-fluoro-4-methoxy-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]pyrimidin-2-amine
SMILESCOc1nc(NCC2(CN3CCCC3)CC2)ncc1F
InChIInChI=1S/C14H21FN4O/c1-20-12-11(15)8-16-13(18-12)17-9-14(4-5-14)10-19-6-2-3-7-19/h8H,2-7,9-10H2,1H3,(H,16,17,18)
InChIKeyKTJVAOGSXVLVLG-UHFFFAOYSA-N
XLogP1.91
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-fluoro-4-methoxy-N-[[(2R)-1-propan-2-ylpyrrolidin-2-yl]methyl]pyrimidin-2-amine
CID 164630566
5-Fluoro-4-methoxypyrimidin-2-amine
CID 45080519
5-fluoro-4-methoxy-N-[rac-(3R,4R)-4-pyrrolidin-1-yltetrahydrofuran-3-yl]pyrimidin-2-amine
CID 122557027
N-{[1-(Dimethylamino)cyclopentyl]methyl}-5-fluoro-4-methoxypyrimidin-2-amine
CID 124217019
N-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-5-fluoro-4-methoxypyrimidin-2-amine
CID 125446685
N-[2-(4-Ethylpiperidin-1-YL)ethyl]-5-fluoro-4-methoxypyrimidin-2-amine
CID 129608927
5-fluoro-N-[(1-isobutylpiperidin-4-yl)methyl]-4-methoxypyrimidin-2-amine
CID 129619994
5-fluoro-4-methoxy-N-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]pyrimidin-2-amine
CID 129621022
(3S)-1-(5-fluoro-4-methoxypyrimidin-2-yl)-N-methylpyrrolidine-3-carboxamide
CID 129624197
N-[[1-(dimethylamino)cyclohexyl]methyl]-5-fluoro-4-methoxypyrimidin-2-amine
CID 131893391
5-fluoro-4-methoxy-N-[[1-(2-methylpropyl)cyclobutyl]methyl]pyrimidin-2-amine
CID 131927817
(2R)-1-N-(5-fluoro-4-methoxypyrimidin-2-yl)-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 164631265

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methoxy-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]pyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-methoxy-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]pyrimidin-2-amine (CID 122568933) is 5-fluoro-4-methoxy-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-methoxy-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-methoxy-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]pyrimidin-2-amine is COc1nc(NCC2(CN3CCCC3)CC2)ncc1F.
What is the InChIKey of 5-fluoro-4-methoxy-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]pyrimidin-2-amine?
The InChIKey is KTJVAOGSXVLVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN4O/c1-20-12-11(15)8-16-13(18-12)17-9-14(4-5-14)10-19-6-2-3-7-19/h8H,2-7,9-10H2,1H3,(H,16,17,18).
What are the key properties of 5-fluoro-4-methoxy-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]pyrimidin-2-amine?
5-fluoro-4-methoxy-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]pyrimidin-2-amine has a molecular weight of 280.35 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methoxy-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 122568933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).