N-[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-6-methoxypyrimidin-4-amine

C16H19FN4O — CID 171995465

IUPACN-[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-6-methoxypyrimidin-4-amine
SMILESCOc1cc(NC2CCN(Cc3ccccc3F)C2)ncn1
InChIInChI=1S/C16H19FN4O/c1-22-16-8-15(18-11-19-16)20-13-6-7-21(10-13)9-12-4-2-3-5-14(12)17/h2-5,8,11,13H,6-7,9-10H2,1H3,(H,18,19,20)
InChIKeyGILKRPMQDREUIZ-UHFFFAOYSA-N
MW302.35 g/mol
LogP2.31
Rot. Bonds5

About N-[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-6-methoxypyrimidin-4-amine

N-[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-6-methoxypyrimidin-4-amine (PubChem CID 171995465) has the molecular formula C16H19FN4O and a molecular weight of 302.35 g/mol. Its IUPAC name is N-[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-6-methoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-6-methoxypyrimidin-4-amine
PubChem CID171995465
Molecular FormulaC16H19FN4O
Molecular Weight302.35 g/mol
Exact Mass302.15
IUPAC NameN-[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-6-methoxypyrimidin-4-amine
SMILESCOc1cc(NC2CCN(Cc3ccccc3F)C2)ncn1
InChIInChI=1S/C16H19FN4O/c1-22-16-8-15(18-11-19-16)20-13-6-7-21(10-13)9-12-4-2-3-5-14(12)17/h2-5,8,11,13H,6-7,9-10H2,1H3,(H,18,19,20)
InChIKeyGILKRPMQDREUIZ-UHFFFAOYSA-N
XLogP2.31
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(4-bromophenyl)methyl]pyrrolidin-3-yl]-6-methoxypyrimidin-4-amine
CID 171998529
N-[1-[(2,3-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-6-methylpyrimidin-4-amine
CID 172891872
6-methoxy-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidin-4-amine
CID 95140355
6-methyl-N-[1-[(2-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine
CID 171995148
4-N,4-N-dimethyl-6-N-[1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]pyrimidine-4,6-diamine
CID 171998479
N-(1-but-2-ynylpiperidin-4-yl)-6-methoxypyrimidin-4-amine
CID 165432113
N-[1-(5-bromo-3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-6-methoxypyrimidin-4-amine
CID 171994045
N-[1-[[2-(difluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 172881664
6-methoxy-N-[1-(1,3,4-oxadiazol-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
CID 126888167
N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]quinolin-2-amine
CID 95870220
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-6-ethoxypyrimidin-4-amine
CID 133490649
6-methoxy-N-[1-(1,2,5-oxadiazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
CID 126888157

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-6-methoxypyrimidin-4-amine?
The IUPAC name of N-[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-6-methoxypyrimidin-4-amine (CID 171995465) is N-[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-6-methoxypyrimidin-4-amine.
What is the SMILES notation for N-[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-6-methoxypyrimidin-4-amine?
The canonical SMILES for N-[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-6-methoxypyrimidin-4-amine is COc1cc(NC2CCN(Cc3ccccc3F)C2)ncn1.
What is the InChIKey of N-[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-6-methoxypyrimidin-4-amine?
The InChIKey is GILKRPMQDREUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O/c1-22-16-8-15(18-11-19-16)20-13-6-7-21(10-13)9-12-4-2-3-5-14(12)17/h2-5,8,11,13H,6-7,9-10H2,1H3,(H,18,19,20).
What are the key properties of N-[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-6-methoxypyrimidin-4-amine?
N-[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-6-methoxypyrimidin-4-amine has a molecular weight of 302.35 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-6-methoxypyrimidin-4-amine is sourced from PubChem (CID 171995465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).