4-methoxy-N-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]pyrimidin-2-amine

C17H22N4O — CID 171995555

IUPAC4-methoxy-N-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]pyrimidin-2-amine
SMILESCOc1ccnc(NC2CCN(Cc3ccccc3C)C2)n1
InChIInChI=1S/C17H22N4O/c1-13-5-3-4-6-14(13)11-21-10-8-15(12-21)19-17-18-9-7-16(20-17)22-2/h3-7,9,15H,8,10-12H2,1-2H3,(H,18,19,20)
InChIKeyOGJVSRRNDPCSFJ-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.48
Rot. Bonds5

About 4-methoxy-N-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]pyrimidin-2-amine

4-methoxy-N-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]pyrimidin-2-amine (PubChem CID 171995555) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 4-methoxy-N-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-N-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]pyrimidin-2-amine
PubChem CID171995555
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name4-methoxy-N-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]pyrimidin-2-amine
SMILESCOc1ccnc(NC2CCN(Cc3ccccc3C)C2)n1
InChIInChI=1S/C17H22N4O/c1-13-5-3-4-6-14(13)11-21-10-8-15(12-21)19-17-18-9-7-16(20-17)22-2/h3-7,9,15H,8,10-12H2,1-2H3,(H,18,19,20)
InChIKeyOGJVSRRNDPCSFJ-UHFFFAOYSA-N
XLogP2.48
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]pyrimidin-2-amine
CID 171998794
4-methoxy-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidin-2-amine
CID 125435533
4-methoxy-N-(1-propylpiperidin-4-yl)pyrimidin-2-amine
CID 112683417
4-methoxy-N-[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]pyrimidin-2-amine
CID 95596178
N-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine
CID 171994913
4-(azepan-1-yl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]pyrimidin-2-amine
CID 23086418
N-[1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]-4-methoxypyrimidin-2-amine
CID 171995695
N-[1-(5-fluoro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-4-methoxypyrimidin-2-amine
CID 172891189
N-[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-3-yl]-4-methylpyrimidin-2-amine
CID 172891915
N-(1,2-dimethylpiperidin-4-yl)-4-methoxypyrimidin-2-amine
CID 112695266
2-N-[1-[(2-methoxy-4-pyridinyl)methyl]piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine
CID 171997332
N-[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-6-methoxypyrimidin-4-amine
CID 171995465

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]pyrimidin-2-amine?
The IUPAC name of 4-methoxy-N-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]pyrimidin-2-amine (CID 171995555) is 4-methoxy-N-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-N-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-N-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]pyrimidin-2-amine is COc1ccnc(NC2CCN(Cc3ccccc3C)C2)n1.
What is the InChIKey of 4-methoxy-N-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]pyrimidin-2-amine?
The InChIKey is OGJVSRRNDPCSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-13-5-3-4-6-14(13)11-21-10-8-15(12-21)19-17-18-9-7-16(20-17)22-2/h3-7,9,15H,8,10-12H2,1-2H3,(H,18,19,20).
What are the key properties of 4-methoxy-N-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]pyrimidin-2-amine?
4-methoxy-N-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]pyrimidin-2-amine has a molecular weight of 298.39 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 171995555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).