4-(2-methoxyphenyl)-N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]pyrimidin-2-amine

C21H25N7O — CID 146107455

IUPAC4-(2-methoxyphenyl)-N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]pyrimidin-2-amine
SMILESCNc1cc(N2CCCC2CNc2nccc(-c3ccccc3OC)n2)ncn1
InChIInChI=1S/C21H25N7O/c1-22-19-12-20(26-14-25-19)28-11-5-6-15(28)13-24-21-23-10-9-17(27-21)16-7-3-4-8-18(16)29-2/h3-4,7-10,12,14-15H,5-6,11,13H2,1-2H3,(H,22,25,26)(H,23,24,27)
InChIKeyAIDXQYHVIDWERX-UHFFFAOYSA-N
MW391.48 g/mol
LogP3.06
Rot. Bonds7

About 4-(2-methoxyphenyl)-N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]pyrimidin-2-amine

4-(2-methoxyphenyl)-N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]pyrimidin-2-amine (PubChem CID 146107455) has the molecular formula C21H25N7O and a molecular weight of 391.48 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]pyrimidin-2-amine
PubChem CID146107455
Molecular FormulaC21H25N7O
Molecular Weight391.48 g/mol
Exact Mass391.21
IUPAC Name4-(2-methoxyphenyl)-N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]pyrimidin-2-amine
SMILESCNc1cc(N2CCCC2CNc2nccc(-c3ccccc3OC)n2)ncn1
InChIInChI=1S/C21H25N7O/c1-22-19-12-20(26-14-25-19)28-11-5-6-15(28)13-24-21-23-10-9-17(27-21)16-7-3-4-8-18(16)29-2/h3-4,7-10,12,14-15H,5-6,11,13H2,1-2H3,(H,22,25,26)(H,23,24,27)
InChIKeyAIDXQYHVIDWERX-UHFFFAOYSA-N
XLogP3.06
TPSA88.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-(2-methoxyphenyl)-N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]pyrimidin-2-amine with MolForge

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Related Compounds

N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]-4-pyrazin-2-ylpyrimidin-2-amine
CID 166235375
6-[(2S)-2-[[(2,3-dimethoxyphenyl)methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine
CID 124554025
N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]pyrido[2,3-b]pyrazin-6-amine
CID 133301785
6-[(2S)-2-[[(3,4-dimethoxyphenyl)methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine
CID 124554031
propan-2-yl 2-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyridine-3-carboxylate
CID 133470303
3-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyrazine-2-carbonitrile
CID 146075842
[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 80795011
6-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyridazine-3-carbonitrile
CID 146084662
N-methyl-6-[2-[(thian-4-ylamino)methyl]pyrrolidin-1-yl]pyrimidin-4-amine
CID 119124051
[(2S)-1-[6-[2-(2-methoxyphenoxy)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95763829
N-methyl-6-[2-[[[phenyl(pyridin-2-yl)methyl]amino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine
CID 166204057
6-[2-[[(3-chloro-4,5-dimethoxyphenyl)methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine
CID 119127288

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]pyrimidin-2-amine?
The IUPAC name of 4-(2-methoxyphenyl)-N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]pyrimidin-2-amine (CID 146107455) is 4-(2-methoxyphenyl)-N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]pyrimidin-2-amine.
What is the SMILES notation for 4-(2-methoxyphenyl)-N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for 4-(2-methoxyphenyl)-N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]pyrimidin-2-amine is CNc1cc(N2CCCC2CNc2nccc(-c3ccccc3OC)n2)ncn1.
What is the InChIKey of 4-(2-methoxyphenyl)-N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]pyrimidin-2-amine?
The InChIKey is AIDXQYHVIDWERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O/c1-22-19-12-20(26-14-25-19)28-11-5-6-15(28)13-24-21-23-10-9-17(27-21)16-7-3-4-8-18(16)29-2/h3-4,7-10,12,14-15H,5-6,11,13H2,1-2H3,(H,22,25,26)(H,23,24,27).
What are the key properties of 4-(2-methoxyphenyl)-N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]pyrimidin-2-amine?
4-(2-methoxyphenyl)-N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]pyrimidin-2-amine has a molecular weight of 391.48 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 146107455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).